data_2rqg_residue 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 2rqg _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 68' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.834 0.35 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 pp -119.73 -176.74 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -92.14 137.41 32.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.4 p -92.19 -20.08 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.76 -16.9 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.47 116.38 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -51.41 160.3 0.99 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.562 0.696 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -89.06 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -172.24 -169.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.4 m -110.05 82.2 2.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.817 0.341 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.74 99.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 23.3 t -95.97 33.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -140.41 160.45 59.49 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.63 20.93 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 -7.75 21.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -93.39 -50.69 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.68 -23.54 64.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -52.82 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -51.64 -32.32 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -61.53 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.2 mtm -61.88 -54.94 35.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.2 tt -52.0 -60.13 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.41 -38.32 78.94 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -62.83 -42.05 99.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.375 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -75.96 -31.72 59.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -26.05 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.516 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.53 -57.8 10.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.2 Cg_endo -69.84 -40.8 4.78 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -35.5 59.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 91.4 mt -75.36 -33.9 28.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -56.46 -21.81 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.11 -32.45 22.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.37 -33.4 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -130.77 75.55 78.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.805 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -7.57 21.39 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.732 2.288 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.7 p -98.46 -55.37 2.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -88.47 8.88 25.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.08 -35.63 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.54 -70.08 1.14 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -51.03 -41.48 59.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.91 -60.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.62 -29.92 66.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.81 -59.23 9.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 35.1 mtm -62.53 -44.0 97.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.441 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.4 mp -61.72 -29.93 70.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 4.9 tt -81.44 -20.09 41.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.5 tp10 -77.48 -57.21 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -33.85 -62.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.25 112.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -52.15 -45.65 65.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.91 -45.44 60.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.11 -38.8 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.06 -38.03 89.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.12 -16.48 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -110.88 -16.47 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 23.2 mtm -90.84 -35.26 14.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.483 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -63.78 -13.22 42.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . 0.405 ' N ' HD12 ' B' ' 597' ' ' LEU . 2.6 pt-20 -94.85 31.76 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.85 136.95 6.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -48.96 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.656 2.237 . . . . 0.0 112.386 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.13 -20.13 56.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 18.0 t -91.35 -55.82 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -51.84 -61.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -54.91 -35.32 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.3 t -63.2 -50.53 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -59.69 -57.18 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 95.6 t -50.76 -51.42 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -56.97 -52.31 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -54.51 37.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -50.38 -59.82 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 58.8 t -49.52 -42.42 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.41 79.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 93.6 t -67.68 -42.0 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 10.4 mt -63.07 -19.85 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.9 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.29 -175.99 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -99.08 135.71 40.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.9 p -85.25 -22.76 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -70.2 -11.03 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.78 124.03 16.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -51.5 157.47 1.76 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -89.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.302 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -172.03 -169.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.84 83.46 2.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.44 -54.86 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 5.7 t -98.27 25.28 6.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -117.18 160.46 37.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 111.083 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 167.84 23.32 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -11.28 30.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -93.28 -46.64 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.28 -25.06 63.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -54.8 -71.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -51.8 -32.72 32.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -62.82 -67.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 40.8 mtm -60.92 -55.74 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.1 tt -51.74 -58.39 6.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.44 -54.31 38.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.513 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.48 -42.5 61.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -74.12 -27.85 61.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -25.36 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.499 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.19 -58.71 8.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.644 0.735 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -39.96 5.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.46 -40.14 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 56.7 mt -75.72 -32.68 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -58.47 -19.7 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.34 43.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.66 -38.53 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -124.72 75.06 64.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -6.44 18.62 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.736 2.291 . . . . 0.0 112.354 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.0 p -96.7 -54.25 3.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.81 14.44 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.66 -39.08 57.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.56 -52.89 35.33 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -62.78 -40.56 97.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 27.0 mt -61.05 -60.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 8.2 t -57.06 -33.46 67.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.84 -59.32 9.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 39.9 mtm -62.71 -44.47 96.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.455 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.2 mp -60.8 -30.94 70.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 7.4 tt -80.24 -19.59 46.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 11.0 tm-20 -77.37 -58.44 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.37 -62.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.77 113.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -53.26 -47.02 69.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -43.48 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -61.33 -38.78 88.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.17 -40.6 94.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.31 -15.41 60.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -106.45 -20.12 13.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 33.3 mtm -88.02 -40.67 13.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.501 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -63.27 -14.34 48.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -71.7 -15.01 62.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.48 147.97 68.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.71 0.767 . . . . 0.0 110.868 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -47.43 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.404 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.97 -23.7 47.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 2.4 m -87.24 -51.92 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.798 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.3 -62.75 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -52.97 -44.63 67.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.4 t -52.19 -51.26 59.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -59.85 -56.08 26.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 95.5 t -50.79 -53.13 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -52.42 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -54.25 -53.32 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.12 -60.07 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 39.8 t -49.92 -42.12 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.69 92.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.74 -42.26 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.079 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.81 -32.88 54.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.844 0.354 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 pp -125.41 -176.51 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -101.35 136.56 40.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.2 p -86.92 -19.19 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -70.05 -17.85 63.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.43 123.41 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -52.14 160.49 1.2 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -88.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -171.84 -169.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.9 t -109.98 82.58 2.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.666 0.746 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -95.1 -58.89 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.68 23.4 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -112.48 159.8 32.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 111.104 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 167.4 24.59 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -9.08 25.23 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -95.92 -45.87 6.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -59.87 -26.79 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -52.02 -68.65 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -56.56 -32.37 65.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -62.48 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 38.5 mtm -61.71 -58.46 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 8.8 tt -50.93 -55.41 17.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.93 -54.78 35.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -52.19 -42.13 63.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -28.01 61.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.78 -25.95 56.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.505 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.71 -58.22 9.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -41.05 4.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.76 -38.39 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 75.3 mt -75.08 -35.67 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -59.32 -19.36 45.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.45 -26.58 20.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.73 -38.02 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -126.03 72.57 70.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.43 21.02 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 2.241 . . . . 0.0 112.385 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 9.0 p -89.65 -61.84 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.25 11.38 19.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.25 -31.81 6.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.88 -76.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -48.26 -38.47 18.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.714 0.292 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 59.5 mt -56.21 -59.94 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.6 -31.24 67.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.79 -60.04 8.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 35.8 mtm -62.73 -43.09 99.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.444 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.0 mp -61.44 -30.38 70.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 6.9 tt -81.32 -19.95 41.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' B' ' 588' ' ' ILE . 8.0 tt0 -77.46 -57.38 3.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -33.68 -62.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.13 113.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -52.98 -43.67 66.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 2.7 t -51.23 -45.89 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.65 -39.11 87.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.78 -37.81 88.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.92 -16.46 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -109.02 -17.28 13.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 26.8 mtm -90.92 -35.97 14.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.484 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -64.68 -12.64 48.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -94.51 31.37 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.97 142.66 2.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.845 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -48.82 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.32 -20.47 54.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.7 m -89.0 -55.63 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 15.6 tp -58.59 -56.61 19.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -55.69 -34.73 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 6.2 t -64.7 -51.46 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -60.82 -57.23 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 95.5 t -50.85 -50.53 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.49 -53.49 57.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -54.53 -54.3 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -50.24 -60.18 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 58.7 t -49.79 -42.79 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.66 88.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 98.8 t -64.38 -42.37 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.43 -19.93 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 pp -116.92 179.62 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -96.42 135.55 38.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -88.75 -20.76 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -71.07 -15.0 62.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.05 120.87 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -51.51 160.21 1.05 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -88.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.299 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -171.85 -168.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.1 t -109.9 82.66 2.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 111.072 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.222 . . . . 0.0 112.321 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -97.15 -50.74 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.09 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 13.6 m -100.97 37.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -128.71 160.44 62.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.575 0.702 . . . . 0.0 111.126 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 167.73 23.51 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -96.61 -42.64 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.71 -21.4 66.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -56.86 -72.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -54.49 -30.57 53.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -64.52 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 68.1 mtm -56.77 -57.12 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.2 tt -50.74 -60.32 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.38 -40.07 75.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -55.98 -52.65 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -71.72 -23.75 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.31 -27.79 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.491 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.07 -58.96 7.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.8 -36.1 11.32 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.72 -43.99 66.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 10.8 mt -75.41 -31.99 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.127 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -59.26 -19.35 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.31 -23.59 49.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.56 -41.45 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -122.86 74.12 46.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.729 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -7.28 20.66 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 10.0 p -92.62 -55.89 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -92.07 16.78 10.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.94 -37.13 51.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.83 -54.98 22.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -63.05 -39.54 95.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 50.2 mt -60.46 -60.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.6 t -56.62 -34.41 67.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.77 -59.24 10.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.543 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 44.6 mtm -62.57 -44.47 96.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.446 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.1 mp -62.58 -25.82 68.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 5.5 tt -81.78 -23.15 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tt0 -77.49 -55.45 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.446 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -33.92 -61.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.44 109.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -52.94 -46.62 68.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.94 -42.77 60.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.06 -40.25 95.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.95 -39.15 93.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.68 -11.45 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -116.57 -12.05 11.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 33.5 mtm -90.13 -26.91 19.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.532 HD12 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -70.63 -5.96 33.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . 0.532 ' N ' HD12 ' B' ' 597' ' ' LEU . 4.8 mt-10 -88.01 -2.1 58.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.79 138.9 29.17 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -60.02 -19.87 54.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 70.1 m -86.46 -56.07 3.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.83 -56.68 16.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -56.4 -42.0 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.2 t -56.23 -53.14 60.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -56.15 -55.5 32.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 85.0 t -54.48 -50.67 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.64 -56.43 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -52.15 -53.34 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -50.62 -60.32 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 73.1 t -49.59 -41.67 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.65 93.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.45 -44.58 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 21.9 mt -54.4 -44.56 72.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.908 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 pp -113.11 -175.54 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -105.68 131.33 53.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.28 -4.53 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.94 -25.1 63.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.71 122.67 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -51.46 160.54 0.96 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -89.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -172.01 -168.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.8 t -109.71 83.05 2.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.331 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -108.03 -29.72 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 1.1 m -114.9 24.55 11.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -124.73 159.99 55.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 167.29 24.72 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.752 2.301 . . . . 0.0 112.343 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -8.89 24.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -96.57 -41.07 8.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.33 -18.85 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -58.33 -66.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 1.9 ptpm? -51.57 -33.14 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -68.91 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 49.0 mtm -58.12 -54.4 47.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.3 tt -50.46 -60.65 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.94 -33.31 73.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.44 -42.4 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -77.19 -34.07 56.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -26.81 57.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.512 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -48.41 -58.17 8.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.82 -42.78 3.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.34 -35.65 39.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 94.0 mt -75.81 -34.41 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -56.85 -22.17 34.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.24 -32.94 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.82 -37.9 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -128.27 76.14 78.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -7.88 22.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.2 p -100.31 -47.56 4.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -93.75 12.11 26.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.39 -53.12 49.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.51 -52.02 30.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -62.66 -48.28 80.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 17.7 mt -54.67 -60.71 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.4 t -57.52 -32.72 67.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.33 -60.53 8.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 35.7 mtm -64.91 -45.39 86.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.424 ' O ' HG13 ' B' ' 588' ' ' ILE . 6.9 mp -57.97 -30.53 66.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 5.3 tt -82.78 -19.49 37.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -76.92 -56.52 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.66 -62.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.24 111.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -51.66 -46.38 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.77 -39.41 58.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.82 -33.38 75.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 3.1 mt -71.83 -36.31 70.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.74 -21.44 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.66 -16.32 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 4.0 tmm? -89.27 -37.09 15.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.483 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -64.94 -12.69 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -73.62 -8.33 55.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 22.8 t -123.31 137.46 28.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 110.935 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -59.46 -26.01 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.11 -51.4 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -52.98 -60.04 3.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -56.15 -41.55 75.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.4 t -56.28 -50.83 70.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -58.74 -53.74 54.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 83.9 t -51.59 -51.78 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.22 -48.49 73.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -57.3 -53.33 59.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.38 -60.17 3.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 57.4 t -50.87 -46.17 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.0 74.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.57 -42.58 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 12.9 mt -50.43 -36.95 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 pp -114.51 -178.96 3.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -100.68 131.86 46.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.83 -12.46 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.72 -22.97 63.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.29 119.24 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.48 161.39 0.83 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.714 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -172.61 -169.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.7 t -109.74 83.09 2.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.387 179.928 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.62 80.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.4 t -95.69 25.67 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -127.78 160.49 60.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 167.47 24.4 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -8.19 22.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.739 2.293 . . . . 0.0 112.348 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -97.42 -44.25 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.43 -18.12 65.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -56.83 -65.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 25.4 pttt -58.8 -30.26 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.66 -66.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 38.1 mtm -61.53 -54.35 44.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 8.7 tt -51.25 -60.93 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.33 -31.97 67.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -64.79 -46.59 81.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.906 0.384 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.48 -31.39 57.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.59 -26.92 58.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.518 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.39 -58.17 9.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.76 -41.28 4.42 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.49 -37.17 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 95.2 mt -75.47 -33.83 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -57.28 -21.09 32.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.98 -35.26 45.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -115.18 -35.06 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -130.27 76.05 78.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.561 0.696 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -7.14 20.29 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.716 2.278 . . . . 0.0 112.354 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.5 p -100.14 -51.21 3.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.96 12.9 18.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.23 -54.3 32.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.51 -50.7 35.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -63.06 -48.08 80.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 15.7 mt -55.81 -60.29 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.6 t -56.9 -33.1 66.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.44 -60.7 7.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 41.8 mtm -63.08 -43.39 98.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.45 ' O ' HG13 ' B' ' 588' ' ' ILE . 6.5 mp -61.59 -29.15 69.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 7.3 tt -81.38 -20.78 39.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' B' ' 588' ' ' ILE . 0.9 OUTLIER -77.46 -56.93 4.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.03 -62.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 175.33 113.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -52.99 -45.38 67.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.91 -45.32 60.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -60.28 -39.24 86.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.67 -37.93 89.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 10.7 mt -64.86 -14.81 60.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -109.81 -18.16 13.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 28.4 mtm -91.68 -34.26 14.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.485 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -65.03 -12.09 46.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . 0.401 ' N ' HD11 ' B' ' 597' ' ' LEU . 2.1 pt-20 -94.25 30.76 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 30.2 t -165.68 141.57 4.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.66 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.06 -19.43 52.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 21.2 m -91.96 -53.66 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.82 -59.21 5.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -55.14 -42.71 73.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.4 t -55.13 -52.35 63.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -58.73 -57.63 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 86.6 t -50.46 -53.91 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -56.17 -47.97 77.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -57.56 -54.36 47.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.28 -60.15 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 38.5 t -51.05 -41.25 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.79 -41.1 94.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 97.4 t -64.78 -43.42 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 31.9 mt -55.15 -41.84 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.876 0.369 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 pp -112.7 -176.61 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -99.81 134.58 42.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 p -88.36 -19.44 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.2 -19.52 63.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.51 117.46 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 155.81 2.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.554 0.692 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -90.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.304 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -172.57 -170.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.9 p -109.65 83.9 2.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.624 2.216 . . . . 0.0 112.39 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.5 81.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 5.0 p -96.0 27.16 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -127.38 160.96 57.44 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.634 0.73 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.02 22.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -8.63 24.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -96.55 -43.94 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -61.46 -25.37 67.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -55.48 -71.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -51.86 -32.84 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -64.15 -69.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.9 mtm -56.16 -54.93 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.2 tt -51.59 -60.05 3.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.65 -43.34 86.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.492 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -56.51 -49.09 75.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.934 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -25.59 61.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.5 -27.25 58.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.505 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.16 -58.32 9.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.3 Cg_endo -69.74 -36.97 9.87 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.13 -44.5 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 12.0 mt -75.49 -33.36 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -58.64 -19.53 39.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.22 -24.07 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.29 -38.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -125.98 73.7 71.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.02 19.99 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 11.6 p -93.86 -54.56 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -92.84 19.15 7.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -53.36 -52.42 59.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.01 -51.15 47.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.57 -47.03 85.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 22.1 mt -57.14 -60.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.3 t -55.47 -33.92 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.12 -60.36 8.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 39.3 mtm -63.67 -42.16 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.421 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.5 mp -63.05 -27.24 69.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 2.2 tt -83.64 -20.39 33.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' B' ' 588' ' ' ILE . 15.5 tp10 -77.71 -54.56 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.459 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.36 -61.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.39 107.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -51.83 -44.74 63.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -43.31 61.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -62.92 -37.5 87.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 2.2 mt -68.19 -35.67 78.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 12.7 mt -61.62 -16.46 48.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -118.22 -13.09 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 16.0 ttp -87.55 -22.0 25.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.531 HD11 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -71.08 -6.23 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . 0.531 ' N ' HD11 ' B' ' 597' ' ' LEU . 25.1 mt-10 -93.69 -10.55 34.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.78 125.69 33.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.688 0.756 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.43 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.69 -18.16 64.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 68.8 m -83.81 -51.84 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 8.1 tp -50.97 -62.74 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -44.29 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 12.7 t -57.01 -53.32 59.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -52.94 -54.42 35.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 97.4 t -55.14 -50.33 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.23 -52.35 63.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.3 -53.85 48.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -50.8 -60.37 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 61.9 t -49.71 -42.18 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.58 91.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.83 -44.76 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 39.6 mt -55.56 -34.6 64.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 pp -125.36 -175.38 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -108.41 138.87 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.4 p -88.5 -10.21 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -79.09 -2.86 42.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.3 122.46 18.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -52.18 154.79 3.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -89.84 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.313 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -172.44 -170.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.2 m -109.86 83.33 2.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 111.102 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.65 93.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 19.7 m -94.14 40.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -146.18 160.44 42.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.707 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 168.22 22.29 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.336 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -8.19 22.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -97.76 -41.4 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -68.77 -23.41 64.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -51.98 -70.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.16 -30.7 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -62.13 -63.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 33.5 mtm -66.91 -56.85 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.7 tt -52.11 -54.19 33.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.97 -49.74 75.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.49 -39.1 75.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -30.69 60.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.04 -25.69 55.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.515 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.77 -57.96 10.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.707 . . . . 0.0 110.838 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.74 -42.4 3.46 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.56 -36.57 45.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 97.9 mt -76.45 -32.19 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' B' ' 567' ' ' PHE . 30.0 mt-30 -58.8 -19.62 42.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -55.58 -24.19 31.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.99 -42.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -123.16 75.05 50.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.71 . . . . 0.0 110.822 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.64 19.1 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 11.2 p -96.4 -53.42 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -91.28 16.62 9.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.94 -37.16 60.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -66.73 -53.13 29.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -63.1 -43.21 99.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 26.8 mt -59.07 -60.22 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 6.2 t -56.74 -32.86 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.44 -59.92 8.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 39.2 mtm -62.45 -43.87 97.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.442 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.5 mp -61.33 -30.6 70.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 6.0 tt -80.91 -19.83 43.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.3 tm-20 -77.54 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.4 OUTLIER -34.37 -62.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.66 112.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -52.54 -48.15 66.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.07 -41.89 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -62.24 -37.16 84.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.81 -39.99 83.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 12.3 mt -56.73 -21.37 27.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.37 -23.41 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -47.14 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.499 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -63.17 -14.26 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -67.79 -16.88 64.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.03 144.67 45.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.672 0.748 . . . . 0.0 110.817 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.64 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.95 -18.03 62.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.3 m -86.24 -55.13 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 6.0 tp -52.31 -62.48 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -52.39 -42.74 64.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 13.0 t -56.25 -51.99 66.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -55.81 -54.43 44.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 91.6 t -51.4 -48.59 33.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.91 -53.77 52.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -53.47 -53.18 55.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -50.8 -60.22 3.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 83.0 t -49.87 -42.15 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.3 91.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.69 -39.42 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 13.8 mt -51.45 -30.02 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 pp -111.74 -175.03 2.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -109.92 137.24 47.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.1 p -84.34 -10.68 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -69.89 -11.29 60.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.16 122.51 14.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -51.24 157.19 1.65 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.711 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -89.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.359 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -172.28 -169.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.2 t -109.96 82.88 2.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.35 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.784 0.326 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.2 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 29.1 m -96.82 25.7 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -121.94 160.44 47.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 167.67 23.75 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.746 2.297 . . . . 0.0 112.324 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -8.79 24.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.372 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -95.27 -45.99 6.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.79 -23.29 66.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -55.36 -70.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -54.24 -32.52 56.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -63.86 -66.64 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 45.3 mtm -60.66 -59.92 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 6.2 tt -52.38 -54.49 31.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.52 -55.99 27.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -53.6 -37.97 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 -74.81 -30.18 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.4 mp -76.14 -25.52 55.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.52 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.79 -57.73 11.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 0.0 110.884 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.79 -40.78 4.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.732 2.288 . . . . 0.0 112.324 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.89 -38.06 61.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 76.4 mt -75.36 -33.5 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -58.62 -19.94 43.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.83 -27.42 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.25 -39.27 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -125.27 73.52 67.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.696 . . . . 0.0 110.828 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -7.22 20.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.2 p -98.68 -42.32 7.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -101.14 10.13 41.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -50.51 -31.36 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.77 -73.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -43.29 50.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 54.4 mt -54.08 -60.85 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -30.64 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.198 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.11 -60.26 8.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 33.1 mtm -64.86 -45.92 84.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.416 ' O ' HG13 ' B' ' 588' ' ' ILE . 9.7 mp -56.72 -31.76 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 4.3 tt -83.33 -18.75 37.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' B' ' 588' ' ' ILE . 46.3 mm-40 -76.99 -56.24 4.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.6 OUTLIER -32.76 -61.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.87 108.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -51.49 -45.57 62.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -42.22 62.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.82 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.51 -35.53 80.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.3 -35.41 73.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.06 -16.96 49.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.42 -14.55 9.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 21.8 ttp -85.31 -22.39 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.518 HD12 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -69.27 -7.15 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . 0.518 ' N ' HD12 ' B' ' 597' ' ' LEU . 17.9 mt-10 -93.03 -13.35 28.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.03 125.16 33.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.44 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -61.08 -23.85 65.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 14.3 m -83.22 -53.41 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -51.33 -56.44 13.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -59.57 -36.88 77.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.7 t -63.96 -47.84 78.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.03 -58.71 7.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 97.8 t -51.54 -51.38 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.87 -52.76 63.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -54.18 -52.37 61.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.58 -59.85 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 39.4 t -50.78 -45.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -55.64 -43.31 76.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.11 -42.02 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 10.2 mt -51.23 -30.84 18.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 pp -125.3 -176.49 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -102.38 138.12 39.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.8 p -88.33 -22.18 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -71.0 -15.84 62.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.64 117.92 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 160.24 1.04 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -90.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -172.69 -178.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 p -109.09 87.29 4.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.809 0.338 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.79 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 15.4 t -95.4 23.09 6.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -122.89 160.59 48.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.681 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 167.54 24.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.76 24.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -92.01 -53.78 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -56.37 -25.19 48.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -51.82 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -51.39 -30.26 18.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -63.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 42.3 mtm -65.58 -55.52 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.6 tt -52.25 -54.62 28.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.04 -57.77 18.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -52.27 -38.82 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.359 . . . . 0.0 110.92 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -73.51 -30.85 63.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.4 mp -75.68 -24.52 56.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.501 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.0 -58.88 8.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.734 . . . . 0.0 110.849 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.73 -40.7 5.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.66 -40.8 60.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 10.8 mt -75.73 -34.09 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -56.61 -20.51 21.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.49 -29.57 36.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.23 -37.91 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -124.08 75.07 58.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -7.1 20.21 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.22 -43.52 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -96.8 18.57 14.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.2 -55.84 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -51.69 -50.33 43.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.437 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -62.05 -48.44 80.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 25.3 mt -57.98 -61.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 7.7 t -53.42 -34.27 57.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.02 -59.72 9.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 43.5 mtm -65.14 -42.57 93.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.422 ' O ' HG13 ' B' ' 588' ' ' ILE . 9.8 mp -61.21 -30.08 70.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 5.2 tt -82.71 -19.23 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' B' ' 588' ' ' ILE . 8.0 tp10 -77.21 -56.4 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.6 OUTLIER -33.59 -62.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.62 110.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -51.95 -42.69 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.14 -39.49 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -67.42 -33.45 75.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 3.1 mt -70.99 -36.97 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.87 -15.89 60.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -114.64 -16.36 11.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 4.9 tmm? -91.64 -31.85 15.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.48 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -65.04 -12.17 47.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . 0.409 ' N ' HD13 ' B' ' 597' ' ' LEU . 1.2 pt-20 -94.95 31.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 16.9 t -152.16 134.51 8.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.711 0.767 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.624 2.216 . . . . 0.0 112.366 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.28 -24.77 66.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -43.75 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.53 -56.92 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -35.21 73.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 11.6 t -62.22 -52.63 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -60.02 -58.1 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 78.5 t -51.51 -52.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.71 -48.51 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -56.54 -54.34 46.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.03 -60.12 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 38.3 t -51.34 -39.45 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.41 99.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.68 -39.71 86.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 36.8 mt -52.84 -30.32 32.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.86 0.362 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 pp -121.9 169.88 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -87.33 137.34 32.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.8 p -92.6 -22.22 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -70.03 -10.95 60.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.6 118.72 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -51.87 137.81 34.65 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.538 0.685 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -89.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -171.61 -173.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.0 m -109.48 85.35 3.61 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.37 -52.51 63.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 18.5 t -95.8 33.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -132.9 160.34 68.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 167.85 23.31 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.388 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -96.86 -42.9 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.19 -22.53 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -54.58 -64.16 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -59.04 -33.98 71.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -63.11 -65.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 54.7 mtm -58.63 -57.58 12.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.2 tt -50.45 -60.67 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.17 -39.74 81.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.52 -47.64 83.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -75.03 -26.15 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -26.72 57.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.509 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.19 -58.19 10.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.881 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.75 -40.17 5.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.764 2.309 . . . . 0.0 112.324 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.87 -37.18 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 94.7 mt -75.41 -34.39 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -58.06 -20.41 39.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.67 -30.27 21.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.64 -37.4 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -125.89 73.84 70.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.723 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -7.81 22.01 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.65 2.234 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.4 p -95.15 -56.68 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.61 11.76 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.02 -33.78 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.91 -72.46 0.66 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.36 -41.12 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 51.2 mt -55.01 -60.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -30.41 66.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.17 -60.16 7.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 34.2 mtm -62.68 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.429 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.6 mp -61.75 -30.63 70.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 8.3 tt -81.4 -19.68 42.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -77.34 -57.59 3.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.4 OUTLIER -33.92 -62.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.86 112.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -51.71 -48.82 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -41.67 59.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.6 -34.75 77.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 1.9 mt -70.74 -38.89 73.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 27.3 mt -60.86 -18.14 54.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -108.87 -24.56 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 11.6 mtm -77.47 -42.23 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.506 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -62.35 -14.84 44.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -69.35 -25.77 64.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.35 147.58 50.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.747 . . . . 0.0 110.83 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -44.2 2.2 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.701 2.268 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -56.9 -23.63 46.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.5 m -90.31 -53.86 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.02 -61.39 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -52.57 -46.41 66.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.6 t -52.07 -51.72 55.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -57.67 -56.65 19.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 88.5 t -50.37 -52.1 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -57.2 -55.29 36.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -52.33 -53.01 49.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.01 -60.27 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 42.3 t -50.21 -39.62 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.33 98.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.97 -42.2 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 7.6 mt -51.12 -31.48 19.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.838 0.351 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 pp -129.88 -176.2 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -100.61 135.74 41.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.2 p -83.62 -25.07 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.25 -3.96 45.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.48 130.56 32.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -49.92 138.72 18.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -89.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -172.02 -169.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.7 t -109.89 82.92 2.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.6 0.714 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.237 . . . . 0.0 112.321 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.38 60.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 1.2 t -95.19 39.32 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -141.44 160.37 57.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.718 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 168.02 22.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.636 2.224 . . . . 0.0 112.348 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -8.77 24.45 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -96.63 -42.71 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.89 -22.49 66.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -54.37 -72.25 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.85 -30.74 46.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -64.58 -67.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 50.8 mtm -57.72 -53.42 58.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 10.1 tt -52.64 -60.14 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.54 -47.03 79.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.41 -48.32 68.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -71.29 -27.23 63.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.5 -24.8 56.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.494 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.47 -58.94 7.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.908 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.78 -38.48 7.69 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.44 -43.07 61.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 19.7 mt -75.83 -34.05 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -57.39 -19.85 25.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.0 -27.05 17.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.87 -42.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -119.37 74.22 15.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -7.29 20.69 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 3.2 p -95.01 -53.31 3.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -92.49 19.27 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.47 -45.11 73.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -60.46 -50.82 63.38 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -62.85 -44.26 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.716 0.293 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 25.0 mt -58.99 -60.94 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.2 t -55.28 -34.02 63.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.49 -59.86 9.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 42.7 mtm -61.89 -45.81 92.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.447 ' O ' HG13 ' B' ' 588' ' ' ILE . 6.9 mp -60.12 -29.4 68.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 8.8 tt -81.22 -20.26 41.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -77.58 -57.22 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -34.05 -62.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.27 113.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -52.72 -45.46 66.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.4 t -50.91 -44.95 60.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -60.62 -38.7 85.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.61 -37.42 86.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.31 -15.26 59.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -110.45 -18.36 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 29.5 mtm -90.79 -34.03 15.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.482 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -65.01 -12.01 45.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.972 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . 0.402 ' N ' HD12 ' B' ' 597' ' ' LEU . 0.2 OUTLIER -94.17 30.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.64 141.63 6.88 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.686 0.755 . . . . 0.0 110.859 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.16 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.347 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.3 -21.57 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.3 m -85.72 -56.31 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 13.0 tp -54.94 -54.41 43.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -57.57 -45.34 85.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.3 t -55.55 -55.28 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -55.33 -59.1 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 99.6 t -50.51 -52.36 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -56.29 -56.94 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -51.74 -53.72 36.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -50.27 -60.09 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 62.7 t -50.53 -38.86 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.13 99.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.1 -41.93 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 16.1 mt -50.97 -31.07 16.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.829 0.347 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 pp -132.56 -175.89 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -110.0 138.52 46.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.6 p -88.22 -7.6 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -76.36 -12.42 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.17 117.13 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -51.51 156.86 1.98 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -90.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -172.52 -168.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.5 m -109.98 82.32 2.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.89 -49.03 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 4.5 m -101.96 29.34 5.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -124.52 160.43 53.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.71 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.72 23.65 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.642 2.228 . . . . 0.0 112.318 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -10.18 27.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -94.72 -44.42 7.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -61.22 -24.77 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -55.38 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -53.58 -34.63 59.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -63.47 -66.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.1 mtm -58.27 -58.15 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 10.2 tt -52.38 -60.01 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.22 -47.95 60.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -54.19 -44.78 71.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 7.3 mmt-85 -73.97 -26.63 60.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.62 -26.67 57.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.498 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -48.92 -58.66 7.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.66 -39.71 6.37 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.734 2.29 . . . . 0.0 112.351 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.72 -40.36 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 22.0 mt -75.27 -33.32 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -58.36 -20.18 41.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.32 -31.33 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.61 -26.67 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -137.47 72.65 50.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.39 20.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.3 p -95.91 -57.42 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.43 12.58 18.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.31 -32.34 10.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.84 -74.69 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.3 -42.36 30.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 60.4 mt -55.0 -60.01 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -31.84 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.24 -58.95 9.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 32.6 mtm -64.82 -42.12 95.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.422 ' O ' HG13 ' B' ' 588' ' ' ILE . 9.6 mp -61.24 -30.44 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . 0.402 ' HA ' HD13 ' B' ' 593' ' ' LEU . 2.3 tt -83.11 -18.95 37.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' B' ' 588' ' ' ILE . 0.9 OUTLIER -76.99 -55.86 5.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.0 -61.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 174.78 104.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -51.62 -42.58 62.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -37.2 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.86 -32.57 71.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 586' ' ' LEU . 2.5 mt -72.99 -33.96 66.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 12.1 mt -62.83 -16.77 59.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -118.7 -16.0 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 5.6 tmm? -88.82 -18.67 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.533 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -69.73 -7.19 37.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . 0.533 ' N ' HD13 ' B' ' 597' ' ' LEU . 16.7 mt-10 -93.04 -13.42 28.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.83 125.34 42.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.868 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -48.09 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 0.0 112.345 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -67.35 -18.86 65.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 70.0 m -83.66 -53.59 5.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 7.5 tp -51.17 -62.22 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -53.94 -40.41 66.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 16.9 t -60.05 -53.04 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -54.81 -56.33 20.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 94.5 t -51.79 -44.44 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.15 -56.99 15.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -51.8 -50.1 61.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -52.86 -59.68 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 97.6 t -49.97 -41.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.4 96.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.58 -37.42 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 18.6 mt -50.79 -30.86 15.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 pp -117.81 -176.07 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -102.36 137.01 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.9 p -90.8 -20.85 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -71.06 -12.98 61.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.1 121.82 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -51.65 161.02 0.92 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.555 0.693 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -88.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -172.1 -169.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.99 82.43 2.47 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.608 0.718 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 179.889 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.832 0.348 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.35 73.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.8 m -96.26 33.65 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -130.2 160.22 66.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 111.061 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 167.7 23.64 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -9.72 26.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -95.25 -43.32 8.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.37 -25.1 67.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.11 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -51.87 -30.84 25.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.6 -65.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 49.0 mtm -61.42 -57.46 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.6 tt -51.53 -58.41 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.01 -37.12 77.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.95 -41.02 95.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -76.53 -33.56 58.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.3 mp -75.97 -26.18 56.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.517 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -48.87 -57.96 9.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 0.0 110.842 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.3 Cg_endo -69.77 -42.44 3.39 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.73 2.286 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.87 -35.38 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 95.9 mt -75.72 -33.22 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.99 -20.21 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -54.09 -32.18 54.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.96 -30.83 4.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -135.16 75.47 59.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.89 22.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.2 p -99.81 -50.15 4.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -91.82 15.14 13.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.08 -55.23 29.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.63 -50.09 37.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -63.33 -47.72 81.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 24.2 mt -57.56 -61.09 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.7 t -54.09 -34.71 60.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.14 -59.86 9.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 39.9 mtm -65.1 -42.99 93.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.422 ' O ' HG13 ' B' ' 588' ' ' ILE . 9.9 mp -61.85 -27.38 68.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 6.1 tt -83.3 -21.44 33.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.9 tt0 -77.12 -54.94 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.4 OUTLIER -33.69 -61.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.78 109.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -52.12 -43.85 64.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.5 -39.34 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -65.61 -34.85 79.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.09 -39.53 72.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.08 -16.74 47.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -116.48 -12.74 10.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -82.77 -29.39 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.546 HD11 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -69.63 -5.99 28.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . 0.546 ' N ' HD11 ' B' ' 597' ' ' LEU . 21.8 mt-10 -83.88 2.39 38.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.5 t -140.65 132.46 14.13 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.67 0.748 . . . . 0.0 110.839 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.06 -21.72 59.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 50.1 m -86.25 -53.26 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -52.62 -57.76 8.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -59.54 -35.75 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -51.57 69.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -62.95 -51.59 66.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 94.1 t -52.28 -52.91 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.97 -51.6 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -55.42 -52.29 64.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.83 -59.92 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 40.7 t -50.83 -41.97 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.11 94.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.7 -39.26 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 45.8 mt -51.1 -35.44 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.798 0.332 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 pp -127.69 -176.34 3.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -103.53 135.54 44.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.7 p -87.06 -18.43 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -70.1 -20.41 63.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.56 123.98 11.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -52.02 160.43 1.18 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -89.02 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.361 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -172.06 -168.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.41 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 84.3 t -94.54 107.91 33.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.655 0.74 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 77' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.835 0.35 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -109.3 -25.23 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 6.2 t -125.97 31.36 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -129.46 160.36 64.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.28 19.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -95.27 -42.17 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.31 -16.86 63.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.51 -70.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.31 -29.77 58.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.52 -65.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 57.3 mtm -60.09 -52.94 63.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.4 tt -51.42 -60.27 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.93 -31.62 72.8 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.432 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -67.21 -43.35 82.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -76.77 -33.87 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.82 -26.61 57.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.515 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -48.51 -58.0 9.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.672 0.749 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.76 -41.86 3.9 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.41 -36.11 42.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 96.4 mt -75.52 -33.78 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.1 -21.36 31.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.979 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -50.87 -31.86 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.29 -36.07 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -128.41 75.44 79.24 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -7.77 21.93 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.3 p -99.93 -50.08 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -91.11 13.05 18.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.62 -54.09 37.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.86 -50.14 39.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -63.48 -47.29 82.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.725 0.297 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 16.3 mt -56.91 -60.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.8 t -56.87 -34.12 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.97 -59.62 9.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 41.6 mtm -62.27 -46.37 89.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.826 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.445 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.6 mp -59.49 -29.34 67.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 8.7 tt -81.44 -20.88 39.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' B' ' 588' ' ' ILE . 4.2 tm-20 -77.86 -56.86 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -33.62 -62.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.14 113.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -53.17 -46.16 68.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.11 -45.12 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -60.54 -40.43 91.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.3 -37.96 89.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.39 -15.15 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -110.39 -17.25 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 29.4 mtm -91.84 -34.51 14.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.489 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -64.69 -12.51 47.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . 0.403 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.5 pt-20 -94.16 30.76 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.31 137.79 9.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 110.91 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -48.96 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.747 2.298 . . . . 0.0 112.339 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -64.19 -15.82 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 71.2 m -90.42 -48.97 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.49 -63.94 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -54.65 -43.86 72.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.5 t -53.16 -52.91 57.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -59.29 -57.58 12.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 92.4 t -50.05 -53.24 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -56.3 -53.63 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -52.39 -53.23 47.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -52.02 -60.28 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 38.0 t -50.78 -37.16 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.29 93.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 89.2 t -65.15 -41.31 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 35.9 mt -51.24 -31.09 19.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 pp -110.49 -174.74 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -111.07 135.69 51.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.8 p -81.7 -10.32 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -70.01 -19.26 63.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.83 125.87 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -51.04 157.24 1.49 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.592 0.71 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -89.56 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -172.43 -170.24 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.0 t -109.88 83.17 2.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.635 2.223 . . . . 0.0 112.388 179.908 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.2 -48.93 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 26.6 m -105.34 32.67 4.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -124.3 160.42 52.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.584 0.707 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.71 23.65 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.742 2.295 . . . . 0.0 112.338 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.8 27.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -95.71 -41.99 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.0 -19.73 65.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -58.5 -66.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -53.14 -31.06 40.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -64.39 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 45.8 mtm -61.7 -54.22 45.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.8 tt -53.57 -56.29 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.45 -44.7 96.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.66 -38.14 86.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -76.44 -32.84 58.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -25.66 55.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.517 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.63 -57.98 10.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.722 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.78 -45.26 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.61 -34.2 36.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 88.4 mt -76.58 -31.88 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -59.44 -19.53 48.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.75 -27.82 13.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.48 -37.03 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -128.34 75.56 78.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 110.828 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -7.81 22.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.712 2.274 . . . . 0.0 112.33 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.3 p -100.62 -46.15 5.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.93 15.27 15.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.08 -55.86 23.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.03 -50.91 31.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -62.5 -49.14 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 23.7 mt -55.85 -60.26 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 9.3 t -56.63 -32.63 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.46 -60.4 8.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 36.4 mtm -63.37 -45.39 91.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.45 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.7 mp -59.02 -31.46 68.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 6.5 tt -80.38 -19.86 45.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 20.3 tp10 -77.06 -58.4 3.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.51 -62.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.15 112.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -52.54 -46.46 66.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -43.31 61.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -61.78 -37.87 85.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.04 -40.51 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.74 -16.82 59.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -107.07 -20.33 13.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 22.7 mtm -84.77 -41.97 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -63.02 -14.24 45.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.15 -16.42 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.02 144.12 46.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -48.74 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.312 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -58.14 -23.88 56.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 26.7 t -84.51 -49.63 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -51.87 -63.93 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -54.25 -44.04 71.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 12.8 t -51.26 -51.38 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -61.16 -54.2 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 99.2 t -51.18 -48.8 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -58.2 -52.83 63.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -53.37 -53.79 45.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.44 -60.57 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 58.5 t -50.11 -42.46 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.16 88.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 97.3 t -65.65 -39.18 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 15.8 mt -51.48 -29.52 16.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.885 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 pp -106.09 172.06 7.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -106.5 137.16 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.11 -3.34 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -69.67 -19.88 63.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.9 121.06 9.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.08 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -52.13 159.92 1.36 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -89.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -172.06 -168.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.8 t -109.97 82.47 2.48 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.643 0.735 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.372 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.805 0.336 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -104.27 -39.11 6.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 76.9 p -108.95 27.88 9.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -125.94 160.23 57.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.541 0.686 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.06 22.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.66 24.18 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.749 2.3 . . . . 0.0 112.341 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -97.18 -40.51 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -66.1 -21.09 66.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -57.52 -64.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -51.61 -34.18 36.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -62.21 -71.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 37.3 mtm -58.0 -56.02 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.3 tt -50.56 -60.39 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.67 -39.58 86.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -58.45 -47.73 83.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -74.74 -25.74 59.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -26.77 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.509 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.95 -57.95 10.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 110.933 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.77 -38.22 8.08 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.636 2.224 . . . . 0.0 112.362 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.59 -38.37 66.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.35 -33.69 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -58.93 -19.83 46.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.57 -28.12 30.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.55 -38.31 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -125.27 73.3 66.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 110.826 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -7.49 21.22 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.619 2.212 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 4.3 p -92.61 -58.01 2.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.19 15.1 14.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.9 -33.99 18.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.11 -72.02 0.74 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -48.7 -41.63 32.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.712 0.292 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 49.2 mt -55.41 -59.4 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -31.24 65.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.37 -57.94 13.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 35.2 mtm -65.89 -42.5 90.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.57 -30.35 70.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 7.7 tt -83.9 -19.18 35.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' B' ' 588' ' ' ILE . 0.9 OUTLIER -77.01 -55.2 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.463 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.05 -61.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.47 109.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -52.22 -45.54 65.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -36.86 63.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -67.6 -33.91 75.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 1.6 mt -73.19 -34.8 66.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.33 -15.7 60.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -118.31 -15.29 9.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -89.44 -20.84 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.534 HD12 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -68.22 -7.99 35.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . 0.534 ' N ' HD12 ' B' ' 597' ' ' LEU . 12.4 mt-10 -92.03 -14.37 29.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.81 121.05 55.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.699 0.761 . . . . 0.0 110.862 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -64.79 -22.44 66.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 72.5 m -82.75 -49.33 9.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -50.71 -56.5 11.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -55.66 -37.81 68.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 31.1 t -64.66 -45.36 87.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -59.71 -57.57 12.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 64.5 t -54.2 -50.64 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -55.71 -53.91 50.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -51.94 -52.93 46.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.66 -60.51 3.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 57.5 t -50.6 -36.86 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.42 93.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.21 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.51 -30.43 20.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.944 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.784 0.326 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 pp -131.1 -175.43 3.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -108.56 137.27 46.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 p -86.94 -16.23 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.9 -17.13 63.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.23 123.32 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -51.28 159.39 1.12 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -89.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.312 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -172.1 -169.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.97 82.46 2.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.766 0.317 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -89.39 -68.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 12.0 p -94.69 41.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -127.67 159.96 63.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.564 0.697 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.38 21.75 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.665 2.244 . . . . 0.0 112.309 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -7.41 21.01 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.668 2.246 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -92.61 -52.78 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.68 -24.36 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -51.79 -62.52 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -64.3 -25.11 67.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -68.3 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 45.3 mtm -60.96 -44.97 96.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.4 -57.23 12.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.53 -38.68 93.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.49 -39.47 91.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -76.84 -34.71 57.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.9 -25.7 56.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.04 -58.25 9.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.72 -42.52 3.37 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.14 -36.5 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 96.5 mt -75.43 -34.35 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -57.39 -21.52 36.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -52.7 -31.22 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.55 -38.55 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -127.07 74.59 76.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.704 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -7.79 21.95 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.01 -42.39 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.37 15.03 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.38 -53.52 52.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.39 -50.74 34.28 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -63.38 -49.04 75.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 20.3 mt -55.4 -60.6 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 7.8 t -56.21 -33.6 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.45 -60.24 8.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 34.8 mtm -64.79 -44.91 88.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.416 ' O ' HG13 ' B' ' 588' ' ' ILE . 9.8 mp -58.82 -30.25 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' B' ' 593' ' ' LEU . 2.9 tt -82.8 -19.15 38.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tt0 -76.07 -56.34 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.98 -60.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.84 103.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -51.03 -42.87 60.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.91 -39.47 68.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.27 -33.75 76.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' B' ' 586' ' ' LEU . 2.4 mt -72.33 -34.67 68.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 54.6 mt -61.22 -17.5 53.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -118.73 -15.2 9.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.12 -19.78 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.507 HD12 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -68.87 -7.8 37.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . 0.507 ' N ' HD12 ' B' ' 597' ' ' LEU . 2.1 mt-10 -85.95 -15.55 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 37.7 t -100.17 121.22 54.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.83 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.722 2.282 . . . . 0.0 112.319 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.45 -19.6 65.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 20.0 m -86.27 -49.29 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -51.23 -62.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -57.53 -36.09 71.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.4 t -62.03 -48.23 81.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -62.2 -53.78 50.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 93.3 t -51.09 -51.83 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -57.28 -51.1 70.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -55.73 -51.63 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -52.45 -59.83 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 39.6 t -50.6 -42.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.85 95.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.91 -38.19 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 29.7 mt -50.27 -32.08 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 pp -121.94 168.2 12.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -89.73 137.45 32.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.8 p -93.79 -13.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -70.07 -11.01 60.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.8 119.33 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 155.86 2.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -89.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -172.12 -169.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.1 t -109.88 82.54 2.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.631 0.729 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.227 . . . . 0.0 112.371 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.837 0.351 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -101.2 -50.19 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.081 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 6.2 p -105.59 30.36 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -120.99 160.6 44.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.7 23.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.367 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.85 24.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -94.26 -51.49 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -57.47 -23.67 51.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -52.03 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -34.9 70.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -62.95 -67.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 49.6 mtm -57.71 -59.02 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 10.6 tt -51.62 -59.99 3.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.33 -45.6 65.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.23 -44.43 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -73.26 -27.9 61.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 2.6 mp -75.9 -27.02 57.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.512 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.2 -58.06 9.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.855 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.73 -38.8 7.37 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.373 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -52.96 -39.9 63.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 17.1 mt -75.28 -32.44 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.89 -19.34 50.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.55 68.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.73 -24.68 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -142.29 73.57 21.26 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.702 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.16 20.36 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.661 2.24 . . . . 0.0 112.321 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 3.2 p -93.27 -60.53 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.11 13.87 13.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.39 -32.59 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.67 -73.98 0.49 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -48.02 -41.32 25.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 53.7 mt -55.61 -60.17 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -31.59 63.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.87 -59.95 8.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 33.0 mtm -64.57 -43.34 94.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.413 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.4 mp -60.37 -29.99 69.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 2.7 tt -83.68 -18.99 36.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tm-20 -76.87 -55.21 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.464 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.01 -60.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.19 105.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -51.69 -45.09 63.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.55 -38.34 63.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -67.17 -33.83 76.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 2.1 mt -72.22 -34.84 68.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.66 -17.42 55.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -118.5 -15.04 9.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -89.36 -18.32 27.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.534 HD12 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -69.84 -7.03 36.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . 0.534 ' N ' HD12 ' B' ' 597' ' ' LEU . 2.7 mt-10 -90.28 -15.04 32.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 36.8 t -98.16 121.9 55.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -41.3 4.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.86 -18.54 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.4 t -85.13 -51.35 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 6.6 tp -51.44 -63.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -54.94 -37.96 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 14.2 t -60.62 -51.94 67.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -57.4 -55.21 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 92.0 t -51.83 -44.78 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -59.34 -56.9 16.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -52.6 -51.25 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.42 -60.17 3.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 86.6 t -50.52 -42.23 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.31 89.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.43 -40.58 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 11.5 mt -51.65 -29.45 17.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.846 0.355 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 pp -126.85 -175.76 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -109.24 138.78 45.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 p -85.05 -17.38 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -69.89 -18.81 63.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.43 124.17 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.047 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -51.61 160.72 0.97 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -89.27 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.636 2.224 . . . . 0.0 112.318 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -171.98 -168.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.7 t -109.55 83.62 2.71 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.561 0.696 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.15 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -51.5 -51.47 54.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.0 t -93.71 41.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -146.18 160.74 41.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 168.69 20.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.55 21.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.278 . . . . 0.0 112.301 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.09 -47.7 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -23.77 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -53.18 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -50.92 -32.54 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -64.44 -71.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 46.4 mtm -54.19 -55.68 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 8.1 tt -51.16 -60.17 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.47 67.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -57.01 -47.68 80.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -71.13 -26.79 63.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.3 mp -75.73 -27.28 58.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 567' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.17 -58.25 9.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.672 0.748 . . . . 0.0 110.833 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 568' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.68 -38.02 8.54 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.91 -42.68 62.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 8.7 mt -75.52 -33.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.84 -20.14 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -55.06 -25.82 33.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.78 -41.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -122.29 74.61 41.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -7.25 20.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.361 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 3.2 p -95.22 -53.71 3.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.39 12.22 19.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.3 -33.32 28.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.8 -59.02 8.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -62.29 -40.04 94.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 61.4 mt -58.38 -62.05 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 6.5 t -56.95 -34.02 67.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.02 -59.83 9.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 37.9 mtm -65.16 -45.82 83.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 585' ' ' LEU . . . . . 0.419 ' O ' HG13 ' B' ' 588' ' ' ILE . 9.8 mp -57.85 -29.25 64.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 tt -83.56 -19.61 35.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 587' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.5 tp10 -77.3 -55.15 5.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 588' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.7 OUTLIER -33.26 -61.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.79 106.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -52.46 -40.72 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 2.2 t -55.34 -39.18 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -67.94 -33.81 75.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 2.3 mt -71.7 -35.99 70.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.83 -16.45 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -118.74 -12.08 9.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -88.21 -23.4 23.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 597' ' ' LEU . . . . . 0.504 HD11 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -69.55 -6.5 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 598' ' ' GLU . . . . . 0.504 ' N ' HD11 ' B' ' 597' ' ' LEU . 13.3 mt-10 -89.03 9.02 26.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 48.4 t -134.05 128.38 19.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -48.3 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.19 -18.74 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 23.2 m -84.76 -54.16 4.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 7.1 tp -52.21 -58.51 6.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -57.33 -41.34 79.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.4 t -54.87 -53.21 58.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.4 -54.3 48.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 93.9 t -51.13 -52.02 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.75 -51.23 69.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -55.38 -52.16 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.73 -60.17 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 40.4 t -50.24 -43.3 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.56 88.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.33 -40.87 90.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.04 -36.13 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.908 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.78 0.324 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.8 -65.0 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.2 m -117.61 -35.91 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -164.58 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -109.11 161.87 14.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 pp -119.73 -176.74 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -92.14 137.41 32.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.4 p -92.19 -20.08 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.76 -16.9 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.47 116.38 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -51.41 160.3 0.99 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.562 0.696 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -89.06 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -172.24 -169.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.4 m -110.05 82.2 2.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 177.97 4.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -109.19 41.1 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 52.9 t -108.09 115.69 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -111.57 -67.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.8 143.2 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.776 0.322 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 51.92 68.21 3.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.636 0.732 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.84 17.93 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 19.1 tp -54.63 144.94 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 30.1 p -142.42 142.52 32.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -59.13 -22.06 60.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 48.8 m -62.56 -44.92 95.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 6.8 mtm -52.06 -38.57 57.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 8.9 mp -86.47 -27.21 24.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.74 99.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 23.3 t -95.97 33.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -140.41 160.45 59.49 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.63 20.93 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 -7.75 21.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -93.39 -50.69 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.68 -23.54 64.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -52.82 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -51.64 -32.32 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -61.53 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.2 mtm -61.88 -54.94 35.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.2 tt -52.0 -60.13 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.41 -38.32 78.94 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -62.83 -42.05 99.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.375 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -75.96 -31.72 59.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -26.05 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.516 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.53 -57.8 10.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.2 Cg_endo -69.84 -40.8 4.78 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -35.5 59.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 91.4 mt -75.36 -33.9 28.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -56.46 -21.81 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.11 -32.45 22.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.37 -33.4 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -130.77 75.55 78.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.805 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -7.57 21.39 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.732 2.288 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.7 p -98.46 -55.37 2.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -88.47 8.88 25.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.08 -35.63 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.54 -70.08 1.14 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -51.03 -41.48 59.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.91 -60.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.62 -29.92 66.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.81 -59.23 9.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 35.1 mtm -62.53 -44.0 97.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.441 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.4 mp -61.72 -29.93 70.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 4.9 tt -81.44 -20.09 41.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.5 tp10 -77.48 -57.21 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -33.85 -62.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.25 112.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -52.15 -45.65 65.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.91 -45.44 60.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.11 -38.8 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.06 -38.03 89.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.12 -16.48 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -110.88 -16.47 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 23.2 mtm -90.84 -35.26 14.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.483 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -63.78 -13.22 42.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . 0.405 ' N ' HD12 ' B' ' 597' ' ' LEU . 2.6 pt-20 -94.85 31.76 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.85 136.95 6.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -48.96 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.656 2.237 . . . . 0.0 112.386 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.13 -20.13 56.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 18.0 t -91.35 -55.82 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -51.84 -61.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -54.91 -35.32 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.3 t -63.2 -50.53 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -59.69 -57.18 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 95.6 t -50.76 -51.42 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -56.97 -52.31 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -54.51 37.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -50.38 -59.82 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 58.8 t -49.52 -42.42 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.41 79.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 93.6 t -67.68 -42.0 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 10.4 mt -63.07 -19.85 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -51.54 -30.01 18.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -75.89 -41.34 52.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -77.17 -68.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -173.93 146.7 1.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -88.02 -68.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -127.93 28.69 5.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 56.86 40.01 29.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -121.52 25.32 9.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.769 0.319 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -125.3 -39.02 2.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.27 -169.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -84.01 2.35 39.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -120.46 112.52 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.29 -175.99 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -99.08 135.71 40.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.9 p -85.25 -22.76 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -70.2 -11.03 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.78 124.03 16.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -51.5 157.47 1.76 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -89.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.302 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -172.03 -169.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.84 83.46 2.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 178.66 4.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -118.54 39.13 3.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.5 141.82 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -97.62 39.18 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -176.56 158.72 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -150.3 68.88 8.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 172.13 13.17 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 63.0 tp -72.64 151.21 42.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 6.8 t -144.97 156.17 43.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -55.19 -27.45 45.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 14.5 m -53.15 -47.12 69.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 4.0 mmt -53.45 -41.51 66.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 7.4 mp -95.65 26.46 3.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.44 -54.86 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 5.7 t -98.27 25.28 6.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -117.18 160.46 37.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 111.083 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 167.84 23.32 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -11.28 30.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -93.28 -46.64 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.28 -25.06 63.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -54.8 -71.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -51.8 -32.72 32.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -62.82 -67.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 40.8 mtm -60.92 -55.74 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.1 tt -51.74 -58.39 6.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.44 -54.31 38.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.513 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.48 -42.5 61.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -74.12 -27.85 61.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -25.36 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.499 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.19 -58.71 8.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.644 0.735 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -39.96 5.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.46 -40.14 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 56.7 mt -75.72 -32.68 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -58.47 -19.7 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.34 43.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.66 -38.53 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -124.72 75.06 64.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -6.44 18.62 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.736 2.291 . . . . 0.0 112.354 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.0 p -96.7 -54.25 3.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.81 14.44 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.66 -39.08 57.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.56 -52.89 35.33 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -62.78 -40.56 97.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 27.0 mt -61.05 -60.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 8.2 t -57.06 -33.46 67.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.84 -59.32 9.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 39.9 mtm -62.71 -44.47 96.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.455 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.2 mp -60.8 -30.94 70.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 7.4 tt -80.24 -19.59 46.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 11.0 tm-20 -77.37 -58.44 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.37 -62.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.77 113.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -53.26 -47.02 69.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -43.48 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -61.33 -38.78 88.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.17 -40.6 94.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.31 -15.41 60.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -106.45 -20.12 13.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 33.3 mtm -88.02 -40.67 13.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.501 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -63.27 -14.34 48.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -71.7 -15.01 62.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.48 147.97 68.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.71 0.767 . . . . 0.0 110.868 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -47.43 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.404 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.97 -23.7 47.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 2.4 m -87.24 -51.92 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.798 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.3 -62.75 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -52.97 -44.63 67.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.4 t -52.19 -51.26 59.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -59.85 -56.08 26.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 95.5 t -50.79 -53.13 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -52.42 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -54.25 -53.32 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.12 -60.07 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 39.8 t -49.92 -42.12 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.69 92.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.74 -42.26 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.079 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.81 -32.88 54.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -54.84 -27.5 42.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.6 94.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -93.98 -68.47 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -146.57 137.22 23.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -108.94 53.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.062 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 14.0 tptp 56.3 35.61 26.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.47 -30.07 51.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -90.99 72.04 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.332 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -140.69 159.53 42.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -96.76 -33.08 11.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -56.11 177.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -51.65 156.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 pp -125.41 -176.51 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -101.35 136.56 40.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.2 p -86.92 -19.19 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -70.05 -17.85 63.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.43 123.41 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -52.14 160.49 1.2 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -88.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -171.84 -169.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.9 t -109.98 82.58 2.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.666 0.746 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 177.96 5.05 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -124.37 36.25 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.53 137.91 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -72.67 -26.7 61.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -174.28 165.69 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 62.98 73.64 0.5 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 163.53 37.88 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.27 . . . . 0.0 112.371 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 12.5 tp -94.65 153.34 17.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 2.5 m -161.01 160.44 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -51.73 -35.66 44.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 13.4 p -53.96 -28.11 35.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 68.6 mmm -66.07 -44.55 84.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 3.9 mt -97.53 33.13 2.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -95.1 -58.89 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.68 23.4 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -112.48 159.8 32.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 111.104 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 167.4 24.59 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -9.08 25.23 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -95.92 -45.87 6.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -59.87 -26.79 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -52.02 -68.65 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -56.56 -32.37 65.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -62.48 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 38.5 mtm -61.71 -58.46 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 8.8 tt -50.93 -55.41 17.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.93 -54.78 35.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -52.19 -42.13 63.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -28.01 61.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.78 -25.95 56.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.505 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.71 -58.22 9.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -41.05 4.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.76 -38.39 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 75.3 mt -75.08 -35.67 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -59.32 -19.36 45.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.45 -26.58 20.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.73 -38.02 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -126.03 72.57 70.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.43 21.02 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 2.241 . . . . 0.0 112.385 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 9.0 p -89.65 -61.84 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.25 11.38 19.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -48.25 -31.81 6.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.88 -76.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -48.26 -38.47 18.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.714 0.292 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 59.5 mt -56.21 -59.94 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.6 -31.24 67.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.79 -60.04 8.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 35.8 mtm -62.73 -43.09 99.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.444 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.0 mp -61.44 -30.38 70.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 6.9 tt -81.32 -19.95 41.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' B' ' 588' ' ' ILE . 8.0 tt0 -77.46 -57.38 3.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -33.68 -62.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.13 113.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -52.98 -43.67 66.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 2.7 t -51.23 -45.89 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.65 -39.11 87.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.78 -37.81 88.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.92 -16.46 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -109.02 -17.28 13.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 26.8 mtm -90.92 -35.97 14.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.484 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -64.68 -12.64 48.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -94.51 31.37 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.97 142.66 2.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.845 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -48.82 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.32 -20.47 54.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.7 m -89.0 -55.63 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 15.6 tp -58.59 -56.61 19.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -55.69 -34.73 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 6.2 t -64.7 -51.46 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -60.82 -57.23 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 95.5 t -50.85 -50.53 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.49 -53.49 57.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -54.53 -54.3 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -50.24 -60.18 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 58.7 t -49.79 -42.79 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.66 88.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 98.8 t -64.38 -42.37 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.43 -19.93 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -56.17 -25.04 45.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -91.87 -17.98 24.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -88.43 -69.99 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -127.08 -37.78 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . 64.65 45.82 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt 53.32 41.62 32.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -103.72 66.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -173.72 138.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.059 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.517 ' N ' ' HZ3' ' B' ' 606' ' ' LYS . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.836 0.351 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -51.09 132.98 28.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.2 p -77.65 68.79 3.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -175.03 179.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -51.66 147.12 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 pp -116.92 179.62 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -96.42 135.55 38.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -88.75 -20.76 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -71.07 -15.0 62.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.05 120.87 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -51.51 160.21 1.05 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -88.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.299 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -171.85 -168.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.1 t -109.9 82.66 2.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 111.072 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 -179.05 2.69 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.222 . . . . 0.0 112.321 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -102.41 26.75 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.4 t -119.92 97.46 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -78.98 63.65 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -125.64 133.33 52.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -168.63 68.66 0.74 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.66 0.743 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 157.43 60.43 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.295 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.94 144.1 57.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 1.8 m -161.22 162.52 31.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -59.51 -18.87 43.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 69.8 m -51.77 -46.78 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 5.9 ptp -65.34 -30.04 70.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 2.9 mp -93.04 17.88 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -97.15 -50.74 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.09 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 13.6 m -100.97 37.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -128.71 160.44 62.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.575 0.702 . . . . 0.0 111.126 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 167.73 23.51 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -96.61 -42.64 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.71 -21.4 66.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -56.86 -72.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -54.49 -30.57 53.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -64.52 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 68.1 mtm -56.77 -57.12 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.2 tt -50.74 -60.32 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.38 -40.07 75.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -55.98 -52.65 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -71.72 -23.75 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.31 -27.79 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.491 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.07 -58.96 7.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.8 -36.1 11.32 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.72 -43.99 66.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 10.8 mt -75.41 -31.99 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.127 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -59.26 -19.35 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.31 -23.59 49.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.56 -41.45 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -122.86 74.12 46.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.729 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -7.28 20.66 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 10.0 p -92.62 -55.89 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -92.07 16.78 10.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.94 -37.13 51.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.83 -54.98 22.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -63.05 -39.54 95.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 50.2 mt -60.46 -60.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.6 t -56.62 -34.41 67.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.77 -59.24 10.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.543 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 44.6 mtm -62.57 -44.47 96.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.446 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.1 mp -62.58 -25.82 68.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 5.5 tt -81.78 -23.15 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tt0 -77.49 -55.45 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.446 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -33.92 -61.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.44 109.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -52.94 -46.62 68.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.94 -42.77 60.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.06 -40.25 95.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.95 -39.15 93.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.68 -11.45 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -116.57 -12.05 11.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 33.5 mtm -90.13 -26.91 19.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.532 HD12 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -70.63 -5.96 33.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . 0.532 ' N ' HD12 ' B' ' 597' ' ' LEU . 4.8 mt-10 -88.01 -2.1 58.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.79 138.9 29.17 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -60.02 -19.87 54.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 70.1 m -86.46 -56.07 3.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 9.5 tp -54.83 -56.68 16.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -56.4 -42.0 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.2 t -56.23 -53.14 60.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . 0.517 ' HZ3' ' N ' ' A' ' 64' ' ' ALA . 31.1 mmmt -56.15 -55.5 32.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 85.0 t -54.48 -50.67 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.64 -56.43 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -52.15 -53.34 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -50.62 -60.32 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 73.1 t -49.59 -41.67 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.65 93.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.45 -44.58 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 21.9 mt -54.4 -44.56 72.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -53.48 -33.39 54.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -56.33 -24.83 46.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -112.77 -62.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -138.19 130.68 29.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -60.81 -74.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -128.74 37.98 4.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -119.63 75.51 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.56 87.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.808 0.337 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -62.4 150.09 40.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.0 m -116.52 -23.09 8.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.09 -168.4 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -50.91 143.12 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 pp -113.11 -175.54 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -105.68 131.33 53.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.28 -4.53 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.94 -25.1 63.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.71 122.67 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -51.46 160.54 0.96 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -89.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -172.01 -168.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.8 t -109.71 83.05 2.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -170.92 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.331 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -122.14 29.41 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.5 t -123.06 122.98 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -63.63 -53.25 54.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.078 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -178.59 158.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -171.35 68.39 0.47 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.706 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 157.61 59.79 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.624 2.216 . . . . 0.0 112.36 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 57.6 tp -96.79 145.26 26.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 10.4 t -152.94 168.0 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -58.94 -26.62 64.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 3.4 m -52.08 -51.07 60.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 10.8 mmm -53.11 -40.84 64.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp -96.49 27.61 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -108.03 -29.72 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 1.1 m -114.9 24.55 11.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -124.73 159.99 55.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 167.29 24.72 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.752 2.301 . . . . 0.0 112.343 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -8.89 24.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -96.57 -41.07 8.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.33 -18.85 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -58.33 -66.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 1.9 ptpm? -51.57 -33.14 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -68.91 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 49.0 mtm -58.12 -54.4 47.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.3 tt -50.46 -60.65 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.94 -33.31 73.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.44 -42.4 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -77.19 -34.07 56.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -26.81 57.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.512 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -48.41 -58.17 8.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.82 -42.78 3.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.34 -35.65 39.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 94.0 mt -75.81 -34.41 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -56.85 -22.17 34.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.24 -32.94 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.82 -37.9 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 12.3 m80 -128.27 76.14 78.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -7.88 22.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.2 p -100.31 -47.56 4.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -93.75 12.11 26.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.39 -53.12 49.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.51 -52.02 30.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -62.66 -48.28 80.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 17.7 mt -54.67 -60.71 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.4 t -57.52 -32.72 67.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.33 -60.53 8.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 35.7 mtm -64.91 -45.39 86.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.424 ' O ' HG13 ' B' ' 588' ' ' ILE . 6.9 mp -57.97 -30.53 66.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 5.3 tt -82.78 -19.49 37.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -76.92 -56.52 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.66 -62.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.24 111.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -51.66 -46.38 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.77 -39.41 58.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.82 -33.38 75.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 3.1 mt -71.83 -36.31 70.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.74 -21.44 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.66 -16.32 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 4.0 tmm? -89.27 -37.09 15.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.483 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -64.94 -12.69 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -73.62 -8.33 55.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 22.8 t -123.31 137.46 28.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 110.935 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -59.46 -26.01 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.11 -51.4 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -52.98 -60.04 3.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -56.15 -41.55 75.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.4 t -56.28 -50.83 70.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -58.74 -53.74 54.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 83.9 t -51.59 -51.78 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.22 -48.49 73.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -57.3 -53.33 59.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.38 -60.17 3.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 57.4 t -50.87 -46.17 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.0 74.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.57 -42.58 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 12.9 mt -50.43 -36.95 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -53.51 -37.36 62.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -54.23 -29.56 46.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.089 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -105.3 -67.26 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -148.55 137.56 21.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -110.86 76.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt 58.98 31.8 21.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -79.27 -30.35 42.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . 59.42 52.41 5.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.821 0.344 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -142.66 141.16 31.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.2 p -80.98 -35.73 31.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -52.56 171.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -51.4 150.11 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 pp -114.51 -178.96 3.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -100.68 131.86 46.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.83 -12.46 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.72 -22.97 63.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.29 119.24 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.48 161.39 0.83 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.714 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -172.61 -169.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.7 t -109.74 83.09 2.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -171.04 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.387 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -119.73 63.57 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.6 p -139.47 143.89 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -98.53 -61.05 1.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.92 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -174.16 139.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -140.47 71.57 31.81 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.632 0.73 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.78 48.43 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -148.39 132.46 17.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 9.0 t -163.91 167.41 20.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -57.22 -23.7 49.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 1.9 t -80.92 -34.21 33.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 43.1 mmm -57.76 -52.07 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.8 mt -71.88 -21.38 61.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.62 80.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.4 t -95.69 25.67 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -127.78 160.49 60.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 111.135 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 167.47 24.4 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -8.19 22.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.739 2.293 . . . . 0.0 112.348 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -97.42 -44.25 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.43 -18.12 65.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -56.83 -65.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 25.4 pttt -58.8 -30.26 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.66 -66.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 38.1 mtm -61.53 -54.35 44.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 8.7 tt -51.25 -60.93 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.33 -31.97 67.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -64.79 -46.59 81.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.906 0.384 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.48 -31.39 57.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.59 -26.92 58.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.518 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.39 -58.17 9.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.76 -41.28 4.42 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.49 -37.17 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 95.2 mt -75.47 -33.83 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -57.28 -21.09 32.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.98 -35.26 45.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -115.18 -35.06 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -130.27 76.05 78.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.561 0.696 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -7.14 20.29 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.716 2.278 . . . . 0.0 112.354 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.5 p -100.14 -51.21 3.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.96 12.9 18.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.23 -54.3 32.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.51 -50.7 35.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -63.06 -48.08 80.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 15.7 mt -55.81 -60.29 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.6 t -56.9 -33.1 66.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.44 -60.7 7.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 41.8 mtm -63.08 -43.39 98.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.45 ' O ' HG13 ' B' ' 588' ' ' ILE . 6.5 mp -61.59 -29.15 69.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 7.3 tt -81.38 -20.78 39.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' B' ' 588' ' ' ILE . 0.9 OUTLIER -77.46 -56.93 4.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.03 -62.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 175.33 113.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -52.99 -45.38 67.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.91 -45.32 60.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -60.28 -39.24 86.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.67 -37.93 89.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 10.7 mt -64.86 -14.81 60.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -109.81 -18.16 13.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 28.4 mtm -91.68 -34.26 14.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.485 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -65.03 -12.09 46.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . 0.401 ' N ' HD11 ' B' ' 597' ' ' LEU . 2.1 pt-20 -94.25 30.76 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 30.2 t -165.68 141.57 4.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.66 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.06 -19.43 52.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 21.2 m -91.96 -53.66 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.82 -59.21 5.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -55.14 -42.71 73.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.4 t -55.13 -52.35 63.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -58.73 -57.63 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 86.6 t -50.46 -53.91 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -56.17 -47.97 77.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -57.56 -54.36 47.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.28 -60.15 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 38.5 t -51.05 -41.25 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.79 -41.1 94.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 97.4 t -64.78 -43.42 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 31.9 mt -55.15 -41.84 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.73 -23.43 42.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.46 67.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -118.11 -68.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -171.68 137.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -115.34 -75.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -117.95 29.6 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 63.26 56.5 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -136.32 -41.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.815 0.34 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -135.92 118.02 15.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -77.77 61.32 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -154.33 -176.02 5.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -50.81 129.14 22.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 pp -112.7 -176.61 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -99.81 134.58 42.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 p -88.36 -19.44 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.2 -19.52 63.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.51 117.46 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 155.81 2.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.554 0.692 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -90.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.304 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -172.57 -170.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.9 p -109.65 83.9 2.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 179.84 3.42 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.624 2.216 . . . . 0.0 112.39 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -113.51 25.98 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.2 t -96.58 117.93 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 40.7 p-80 -120.38 27.35 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.077 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -96.26 60.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -153.78 71.07 6.6 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.687 0.756 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 163.43 38.27 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.21 177.46 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.55 141.1 30.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -56.46 -24.98 49.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 13.5 t -65.36 -44.01 89.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 44.5 mtp -52.65 -45.58 66.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 5.4 mp -81.8 -23.32 36.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.5 81.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 5.0 p -96.0 27.16 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -127.38 160.96 57.44 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.634 0.73 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.02 22.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -8.63 24.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -96.55 -43.94 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -61.46 -25.37 67.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -55.48 -71.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -51.86 -32.84 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -64.15 -69.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.9 mtm -56.16 -54.93 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.2 tt -51.59 -60.05 3.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.65 -43.34 86.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.492 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -56.51 -49.09 75.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.934 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -25.59 61.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.5 -27.25 58.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.505 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.16 -58.32 9.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.3 Cg_endo -69.74 -36.97 9.87 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.13 -44.5 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 12.0 mt -75.49 -33.36 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -58.64 -19.53 39.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.22 -24.07 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.29 -38.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -125.98 73.7 71.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.02 19.99 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 11.6 p -93.86 -54.56 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -92.84 19.15 7.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -53.36 -52.42 59.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.01 -51.15 47.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.57 -47.03 85.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 22.1 mt -57.14 -60.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.3 t -55.47 -33.92 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.12 -60.36 8.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 39.3 mtm -63.67 -42.16 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.421 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.5 mp -63.05 -27.24 69.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 2.2 tt -83.64 -20.39 33.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' B' ' 588' ' ' ILE . 15.5 tp10 -77.71 -54.56 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.459 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.36 -61.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.39 107.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -51.83 -44.74 63.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -43.31 61.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -62.92 -37.5 87.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 2.2 mt -68.19 -35.67 78.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 12.7 mt -61.62 -16.46 48.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -118.22 -13.09 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 16.0 ttp -87.55 -22.0 25.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.531 HD11 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -71.08 -6.23 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . 0.531 ' N ' HD11 ' B' ' 597' ' ' LEU . 25.1 mt-10 -93.69 -10.55 34.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.78 125.69 33.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.688 0.756 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.43 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.69 -18.16 64.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 68.8 m -83.81 -51.84 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 8.1 tp -50.97 -62.74 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -44.29 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 12.7 t -57.01 -53.32 59.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -52.94 -54.42 35.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 97.4 t -55.14 -50.33 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.23 -52.35 63.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.3 -53.85 48.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -50.8 -60.37 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 61.9 t -49.71 -42.18 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.58 91.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.83 -44.76 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 39.6 mt -55.56 -34.6 64.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -17.13 59.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -86.47 -30.33 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -114.83 -75.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -154.72 124.05 6.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -119.3 -75.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.22 46.89 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 17.6 pm0 -56.47 -25.0 49.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . 53.92 55.72 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.807 0.337 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.83 -63.97 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.8 p -125.21 -52.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -155.14 -74.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -94.49 163.27 13.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 pp -125.36 -175.38 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -108.41 138.87 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.4 p -88.5 -10.21 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -79.09 -2.86 42.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.3 122.46 18.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -52.18 154.79 3.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -89.84 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.313 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -172.44 -170.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.2 m -109.86 83.33 2.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 111.102 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -177.37 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -105.03 30.7 5.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -90.63 86.35 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -105.06 -29.89 10.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -133.43 42.65 2.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.776 0.322 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -163.39 68.44 1.74 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.63 161.11 47.2 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 10.0 tp -73.1 150.32 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 30.9 p -138.16 144.44 40.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -54.96 -26.44 36.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.05 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 1.9 t -62.91 -38.35 90.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 25.8 mmm -61.96 -28.11 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -88.75 -43.96 10.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.65 93.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 19.7 m -94.14 40.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -146.18 160.44 42.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.707 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 168.22 22.29 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.336 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -8.19 22.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -97.76 -41.4 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -68.77 -23.41 64.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -51.98 -70.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.16 -30.7 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -62.13 -63.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 33.5 mtm -66.91 -56.85 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.7 tt -52.11 -54.19 33.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.97 -49.74 75.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.49 -39.1 75.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -30.69 60.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.04 -25.69 55.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.515 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.77 -57.96 10.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.707 . . . . 0.0 110.838 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.74 -42.4 3.46 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.56 -36.57 45.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 97.9 mt -76.45 -32.19 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' B' ' 567' ' ' PHE . 30.0 mt-30 -58.8 -19.62 42.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -55.58 -24.19 31.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.99 -42.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -123.16 75.05 50.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.71 . . . . 0.0 110.822 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.64 19.1 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 11.2 p -96.4 -53.42 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -91.28 16.62 9.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.94 -37.16 60.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -66.73 -53.13 29.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -63.1 -43.21 99.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 26.8 mt -59.07 -60.22 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 6.2 t -56.74 -32.86 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.44 -59.92 8.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 39.2 mtm -62.45 -43.87 97.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.442 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.5 mp -61.33 -30.6 70.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 6.0 tt -80.91 -19.83 43.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.3 tm-20 -77.54 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.4 OUTLIER -34.37 -62.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.66 112.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -52.54 -48.15 66.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.07 -41.89 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -62.24 -37.16 84.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.81 -39.99 83.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 12.3 mt -56.73 -21.37 27.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.37 -23.41 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -47.14 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.499 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -63.17 -14.26 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -67.79 -16.88 64.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.03 144.67 45.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.672 0.748 . . . . 0.0 110.817 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.64 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.95 -18.03 62.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.3 m -86.24 -55.13 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 6.0 tp -52.31 -62.48 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -52.39 -42.74 64.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 13.0 t -56.25 -51.99 66.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -55.81 -54.43 44.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 91.6 t -51.4 -48.59 33.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.91 -53.77 52.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -53.47 -53.18 55.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -50.8 -60.22 3.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 83.0 t -49.87 -42.15 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.3 91.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.69 -39.42 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 13.8 mt -51.45 -30.02 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -51.49 -38.72 55.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -58.43 -33.16 69.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -95.26 -72.44 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.45 147.46 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -116.58 73.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt 58.59 26.3 14.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 58.88 39.07 24.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -158.0 106.41 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.88 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.802 0.334 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -78.32 148.37 33.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.6 p -117.73 -13.58 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -143.62 -173.96 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -51.03 143.92 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 pp -111.74 -175.03 2.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -109.92 137.24 47.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.1 p -84.34 -10.68 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -69.89 -11.29 60.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.16 122.51 14.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -51.24 157.19 1.65 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.711 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -89.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.359 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -172.28 -169.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.2 t -109.96 82.88 2.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 178.29 4.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -119.73 29.82 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.3 p -161.69 134.36 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -107.47 26.12 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -118.6 43.92 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.3 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -142.9 68.76 18.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.56 0.695 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.42 2.34 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 64.7 tp -59.83 144.45 48.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 1.1 m -146.59 144.94 29.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -62.0 -27.88 69.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 4.1 m -54.62 -36.49 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 16.8 mtm -60.42 -69.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 5.3 mp -56.32 -25.58 49.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.2 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 29.1 m -96.82 25.7 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -121.94 160.44 47.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.103 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 167.67 23.75 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.746 2.297 . . . . 0.0 112.324 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -8.79 24.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.372 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -95.27 -45.99 6.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.79 -23.29 66.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -55.36 -70.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -54.24 -32.52 56.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -63.86 -66.64 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 45.3 mtm -60.66 -59.92 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 6.2 tt -52.38 -54.49 31.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.52 -55.99 27.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -53.6 -37.97 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 -74.81 -30.18 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.4 mp -76.14 -25.52 55.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.52 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.79 -57.73 11.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 0.0 110.884 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.79 -40.78 4.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.732 2.288 . . . . 0.0 112.324 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.89 -38.06 61.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 76.4 mt -75.36 -33.5 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -58.62 -19.94 43.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.83 -27.42 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.25 -39.27 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -125.27 73.52 67.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.696 . . . . 0.0 110.828 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -7.22 20.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.2 p -98.68 -42.32 7.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -101.14 10.13 41.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -50.51 -31.36 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.77 -73.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -43.29 50.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 54.4 mt -54.08 -60.85 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -30.64 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.198 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.11 -60.26 8.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 33.1 mtm -64.86 -45.92 84.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.416 ' O ' HG13 ' B' ' 588' ' ' ILE . 9.7 mp -56.72 -31.76 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 4.3 tt -83.33 -18.75 37.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' B' ' 588' ' ' ILE . 46.3 mm-40 -76.99 -56.24 4.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.6 OUTLIER -32.76 -61.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.87 108.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -51.49 -45.57 62.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -42.22 62.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.82 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.51 -35.53 80.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.3 -35.41 73.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.06 -16.96 49.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.42 -14.55 9.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 21.8 ttp -85.31 -22.39 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.518 HD12 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -69.27 -7.15 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . 0.518 ' N ' HD12 ' B' ' 597' ' ' LEU . 17.9 mt-10 -93.03 -13.35 28.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.03 125.16 33.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.44 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -61.08 -23.85 65.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 14.3 m -83.22 -53.41 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -51.33 -56.44 13.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -59.57 -36.88 77.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.7 t -63.96 -47.84 78.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.03 -58.71 7.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 97.8 t -51.54 -51.38 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.87 -52.76 63.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -54.18 -52.37 61.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.58 -59.85 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 39.4 t -50.78 -45.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -55.64 -43.31 76.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.11 -42.02 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 10.2 mt -51.23 -30.84 18.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.79 -33.99 57.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.98 73.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -99.67 -74.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -151.64 135.45 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -120.7 75.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 2.5 tttp 56.1 30.26 16.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -77.55 -33.3 54.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -101.57 -50.35 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.067 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.829 0.347 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -119.0 116.96 27.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -99.1 -15.45 18.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -50.91 -67.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -154.88 139.72 17.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 pp -125.3 -176.49 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -102.38 138.12 39.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.8 p -88.33 -22.18 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -71.0 -15.84 62.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.64 117.92 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 160.24 1.04 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -90.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -172.69 -178.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 p -109.09 87.29 4.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 177.63 5.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -122.87 28.0 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.0 t -112.97 140.6 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -112.04 -34.02 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -175.89 132.16 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -151.36 69.62 8.14 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.651 0.739 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 159.24 54.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 11.3 mt -58.4 178.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 2.9 t -162.31 129.06 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -51.38 -30.19 18.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 20.6 p -56.61 -38.87 72.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 9.0 mmm -52.92 -72.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 5.3 mp -52.22 -31.78 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.79 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 15.4 t -95.4 23.09 6.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -122.89 160.59 48.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.681 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 167.54 24.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.76 24.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -92.01 -53.78 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -56.37 -25.19 48.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -51.82 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -51.39 -30.26 18.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -63.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 42.3 mtm -65.58 -55.52 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 4.6 tt -52.25 -54.62 28.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.04 -57.77 18.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -52.27 -38.82 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.359 . . . . 0.0 110.92 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -73.51 -30.85 63.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.4 mp -75.68 -24.52 56.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.501 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.0 -58.88 8.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.734 . . . . 0.0 110.849 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.73 -40.7 5.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.66 -40.8 60.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 10.8 mt -75.73 -34.09 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -56.61 -20.51 21.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.49 -29.57 36.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.23 -37.91 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -124.08 75.07 58.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -7.1 20.21 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.22 -43.52 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -96.8 18.57 14.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.2 -55.84 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -51.69 -50.33 43.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.437 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -62.05 -48.44 80.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 25.3 mt -57.98 -61.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 7.7 t -53.42 -34.27 57.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.02 -59.72 9.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 43.5 mtm -65.14 -42.57 93.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.422 ' O ' HG13 ' B' ' 588' ' ' ILE . 9.8 mp -61.21 -30.08 70.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 5.2 tt -82.71 -19.23 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' B' ' 588' ' ' ILE . 8.0 tp10 -77.21 -56.4 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.6 OUTLIER -33.59 -62.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.62 110.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -51.95 -42.69 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.14 -39.49 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -67.42 -33.45 75.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 3.1 mt -70.99 -36.97 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.87 -15.89 60.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -114.64 -16.36 11.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 4.9 tmm? -91.64 -31.85 15.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.48 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -65.04 -12.17 47.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . 0.409 ' N ' HD13 ' B' ' 597' ' ' LEU . 1.2 pt-20 -94.95 31.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 16.9 t -152.16 134.51 8.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.711 0.767 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.624 2.216 . . . . 0.0 112.366 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.28 -24.77 66.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -43.75 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.53 -56.92 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -35.21 73.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 11.6 t -62.22 -52.63 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -60.02 -58.1 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 78.5 t -51.51 -52.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.71 -48.51 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -56.54 -54.34 46.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.03 -60.12 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 38.3 t -51.34 -39.45 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.41 99.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.68 -39.71 86.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 36.8 mt -52.84 -30.32 32.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -56.63 -24.69 49.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -75.83 -23.45 55.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -98.69 -36.19 9.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 59.02 74.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -99.35 -75.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -57.1 -26.13 59.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 61.9 33.69 17.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -72.61 88.93 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.787 0.327 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -112.78 115.82 29.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 p -61.85 -30.44 70.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -53.55 173.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -51.57 145.3 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 pp -121.9 169.88 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -87.33 137.34 32.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.8 p -92.6 -22.22 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -70.03 -10.95 60.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.6 118.72 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -51.87 137.81 34.65 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.538 0.685 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -89.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -171.61 -173.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.0 m -109.48 85.35 3.61 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 179.34 3.82 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -103.26 39.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.4 m -149.18 148.26 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -74.26 -53.41 9.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.908 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -170.51 136.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.733 0.302 . . . . 0.0 110.962 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -146.77 71.06 12.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.633 0.73 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 142.78 48.69 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.18 -166.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 9.2 t -147.94 166.25 28.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -59.03 -21.12 58.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 14.5 m -58.22 -45.05 88.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -51.57 -53.18 40.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 5.1 mt -77.32 -11.72 59.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.37 -52.51 63.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 18.5 t -95.8 33.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -132.9 160.34 68.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 111.082 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 167.85 23.31 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.388 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -96.86 -42.9 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.19 -22.53 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -54.58 -64.16 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -59.04 -33.98 71.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -63.11 -65.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 54.7 mtm -58.63 -57.58 12.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.2 tt -50.45 -60.67 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.17 -39.74 81.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.52 -47.64 83.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -75.03 -26.15 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -26.72 57.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.509 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.19 -58.19 10.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.881 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.75 -40.17 5.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.764 2.309 . . . . 0.0 112.324 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.87 -37.18 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 94.7 mt -75.41 -34.39 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -58.06 -20.41 39.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.67 -30.27 21.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.64 -37.4 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -125.89 73.84 70.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.723 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -7.81 22.01 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.65 2.234 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.4 p -95.15 -56.68 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.61 11.76 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.02 -33.78 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.91 -72.46 0.66 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.36 -41.12 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 51.2 mt -55.01 -60.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -30.41 66.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.17 -60.16 7.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 34.2 mtm -62.68 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.429 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.6 mp -61.75 -30.63 70.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 8.3 tt -81.4 -19.68 42.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -77.34 -57.59 3.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.4 OUTLIER -33.92 -62.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.86 112.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -51.71 -48.82 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -41.67 59.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.6 -34.75 77.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 1.9 mt -70.74 -38.89 73.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 27.3 mt -60.86 -18.14 54.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -108.87 -24.56 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 11.6 mtm -77.47 -42.23 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.506 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -62.35 -14.84 44.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -69.35 -25.77 64.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.35 147.58 50.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.747 . . . . 0.0 110.83 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -44.2 2.2 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.701 2.268 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -56.9 -23.63 46.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.5 m -90.31 -53.86 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.02 -61.39 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -52.57 -46.41 66.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.6 t -52.07 -51.72 55.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -57.67 -56.65 19.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 88.5 t -50.37 -52.1 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -57.2 -55.29 36.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -52.33 -53.01 49.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.01 -60.27 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 42.3 t -50.21 -39.62 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.33 98.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.97 -42.2 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 7.6 mt -51.12 -31.48 19.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -52.77 -29.04 25.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -68.42 -35.01 77.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.19 -74.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -151.95 131.17 12.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -122.76 61.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt 54.02 29.53 10.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -102.97 35.49 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -102.8 90.88 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.832 0.349 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -129.99 130.43 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 m -108.27 -13.82 14.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.4 ptt-85 -51.34 -47.53 62.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -179.47 140.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 pp -129.88 -176.2 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -100.61 135.74 41.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.2 p -83.62 -25.07 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.25 -3.96 45.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.48 130.56 32.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -49.92 138.72 18.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -89.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -172.02 -169.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.7 t -109.89 82.92 2.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.6 0.714 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -179.59 3.03 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.237 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.96 33.77 5.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.5 t -99.25 95.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -77.63 -34.6 53.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.45 172.05 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 53.45 72.84 1.04 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.11 15.07 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 6.6 tp -89.66 147.34 23.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 13.1 t -169.47 169.96 8.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -56.26 -34.25 66.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 54.2 m -57.52 -26.84 61.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 4.2 mmt -62.3 -55.97 23.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 6.3 mt -77.64 -24.0 49.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.38 60.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 1.2 t -95.19 39.32 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -141.44 160.37 57.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.718 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 168.02 22.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.636 2.224 . . . . 0.0 112.348 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -8.77 24.45 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -96.63 -42.71 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.89 -22.49 66.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -54.37 -72.25 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.85 -30.74 46.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -64.58 -67.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 50.8 mtm -57.72 -53.42 58.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 10.1 tt -52.64 -60.14 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.54 -47.03 79.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.41 -48.32 68.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -71.29 -27.23 63.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.5 -24.8 56.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.494 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.47 -58.94 7.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.908 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.78 -38.48 7.69 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.44 -43.07 61.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 19.7 mt -75.83 -34.05 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -57.39 -19.85 25.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.0 -27.05 17.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.87 -42.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -119.37 74.22 15.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -7.29 20.69 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 3.2 p -95.01 -53.31 3.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -92.49 19.27 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.47 -45.11 73.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -60.46 -50.82 63.38 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -62.85 -44.26 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.716 0.293 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 25.0 mt -58.99 -60.94 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.2 t -55.28 -34.02 63.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.49 -59.86 9.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 42.7 mtm -61.89 -45.81 92.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.447 ' O ' HG13 ' B' ' 588' ' ' ILE . 6.9 mp -60.12 -29.4 68.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 8.8 tt -81.22 -20.26 41.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -77.58 -57.22 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -34.05 -62.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.27 113.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -52.72 -45.46 66.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.4 t -50.91 -44.95 60.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -60.62 -38.7 85.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 2.7 mt -65.61 -37.42 86.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.31 -15.26 59.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -110.45 -18.36 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 29.5 mtm -90.79 -34.03 15.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.482 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -65.01 -12.01 45.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.972 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . 0.402 ' N ' HD12 ' B' ' 597' ' ' LEU . 0.2 OUTLIER -94.17 30.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.64 141.63 6.88 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.686 0.755 . . . . 0.0 110.859 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.16 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.347 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.3 -21.57 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.3 m -85.72 -56.31 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 13.0 tp -54.94 -54.41 43.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -57.57 -45.34 85.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.3 t -55.55 -55.28 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -55.33 -59.1 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 99.6 t -50.51 -52.36 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -56.29 -56.94 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -51.74 -53.72 36.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -50.27 -60.09 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 62.7 t -50.53 -38.86 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.13 99.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.1 -41.93 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 16.1 mt -50.97 -31.07 16.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -52.7 -30.64 33.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -65.22 -36.02 82.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -97.88 -73.69 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -156.89 145.0 19.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -133.67 65.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 52.26 30.2 7.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -92.99 79.57 4.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -172.98 138.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.823 0.344 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -113.19 175.69 5.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.8 t -105.84 -45.45 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -56.99 179.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -56.71 179.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 pp -132.56 -175.89 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -110.0 138.52 46.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.6 p -88.22 -7.6 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -76.36 -12.42 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.17 117.13 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -51.51 156.86 1.98 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -90.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -172.52 -168.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.5 m -109.98 82.32 2.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -176.79 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -133.0 31.27 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.7 m -122.95 169.83 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -67.97 -35.28 78.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -121.76 47.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.919 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -153.94 72.64 6.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 148.17 64.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 14.3 tp -87.52 144.98 26.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.54 167.69 29.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -61.88 -26.17 67.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.078 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 16.9 m -52.4 -39.2 60.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 12.5 mtt -62.39 -39.68 94.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 10.1 mp -96.87 28.74 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.89 -49.03 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 4.5 m -101.96 29.34 5.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -124.52 160.43 53.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.71 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.72 23.65 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.642 2.228 . . . . 0.0 112.318 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -10.18 27.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -94.72 -44.42 7.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -61.22 -24.77 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -55.38 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -53.58 -34.63 59.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -63.47 -66.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.1 mtm -58.27 -58.15 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 10.2 tt -52.38 -60.01 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.22 -47.95 60.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -54.19 -44.78 71.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 7.3 mmt-85 -73.97 -26.63 60.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.62 -26.67 57.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.498 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -48.92 -58.66 7.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.66 -39.71 6.37 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.734 2.29 . . . . 0.0 112.351 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -51.72 -40.36 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 22.0 mt -75.27 -33.32 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -58.36 -20.18 41.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.32 -31.33 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.61 -26.67 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -137.47 72.65 50.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.39 20.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.3 p -95.91 -57.42 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.43 12.58 18.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.31 -32.34 10.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.84 -74.69 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.3 -42.36 30.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 60.4 mt -55.0 -60.01 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -31.84 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.24 -58.95 9.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 32.6 mtm -64.82 -42.12 95.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.422 ' O ' HG13 ' B' ' 588' ' ' ILE . 9.6 mp -61.24 -30.44 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . 0.402 ' HA ' HD13 ' B' ' 593' ' ' LEU . 2.3 tt -83.11 -18.95 37.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' B' ' 588' ' ' ILE . 0.9 OUTLIER -76.99 -55.86 5.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.0 -61.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 174.78 104.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -51.62 -42.58 62.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -37.2 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.86 -32.57 71.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 586' ' ' LEU . 2.5 mt -72.99 -33.96 66.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 12.1 mt -62.83 -16.77 59.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -118.7 -16.0 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 5.6 tmm? -88.82 -18.67 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.533 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -69.73 -7.19 37.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . 0.533 ' N ' HD13 ' B' ' 597' ' ' LEU . 16.7 mt-10 -93.04 -13.42 28.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.83 125.34 42.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.868 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -48.09 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 0.0 112.345 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -67.35 -18.86 65.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 70.0 m -83.66 -53.59 5.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 7.5 tp -51.17 -62.22 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -53.94 -40.41 66.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 16.9 t -60.05 -53.04 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -54.81 -56.33 20.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 94.5 t -51.79 -44.44 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.15 -56.99 15.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -51.8 -50.1 61.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -52.86 -59.68 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 97.6 t -49.97 -41.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.4 96.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.58 -37.42 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 18.6 mt -50.79 -30.86 15.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -51.71 -30.37 21.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -66.89 -36.9 83.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -98.48 -74.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -149.93 137.86 20.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -109.54 77.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.88 28.64 10.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -106.37 42.72 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -120.53 -46.13 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.803 0.335 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -120.35 126.89 51.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.2 p -66.71 -38.78 87.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -51.69 168.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -51.61 159.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 pp -117.81 -176.07 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -102.36 137.01 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.9 p -90.8 -20.85 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -71.06 -12.98 61.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.1 121.82 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -51.65 161.02 0.92 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.555 0.693 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -88.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -172.1 -169.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.99 82.43 2.47 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.608 0.718 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.73 -171.04 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.6 p30 -76.41 67.33 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.7 p -168.25 136.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -92.75 -51.14 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.036 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -136.64 -169.91 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.3 . . . . 0.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 59.63 73.57 0.65 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.684 0.754 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 168.28 21.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.82 -175.68 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 5.8 m -129.12 2.45 5.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . 65.63 13.11 8.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 4.4 t -118.94 -33.43 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 2.8 mtm -51.99 -41.85 62.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.99 -30.35 71.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.35 73.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.8 m -96.26 33.65 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -130.2 160.22 66.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 111.061 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 167.7 23.64 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -9.72 26.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -95.25 -43.32 8.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.37 -25.1 67.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.11 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -51.87 -30.84 25.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.6 -65.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 49.0 mtm -61.42 -57.46 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.6 tt -51.53 -58.41 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.01 -37.12 77.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.95 -41.02 95.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -76.53 -33.56 58.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.3 mp -75.97 -26.18 56.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.517 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -48.87 -57.96 9.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 0.0 110.842 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.3 Cg_endo -69.77 -42.44 3.39 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.73 2.286 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.87 -35.38 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 95.9 mt -75.72 -33.22 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.99 -20.21 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -54.09 -32.18 54.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.96 -30.83 4.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -135.16 75.47 59.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.89 22.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.2 p -99.81 -50.15 4.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -91.82 15.14 13.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.08 -55.23 29.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.63 -50.09 37.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -63.33 -47.72 81.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 24.2 mt -57.56 -61.09 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.7 t -54.09 -34.71 60.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.14 -59.86 9.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 39.9 mtm -65.1 -42.99 93.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.422 ' O ' HG13 ' B' ' 588' ' ' ILE . 9.9 mp -61.85 -27.38 68.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 6.1 tt -83.3 -21.44 33.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.9 tt0 -77.12 -54.94 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.4 OUTLIER -33.69 -61.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.78 109.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -52.12 -43.85 64.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.5 -39.34 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -65.61 -34.85 79.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.09 -39.53 72.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.08 -16.74 47.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -116.48 -12.74 10.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -82.77 -29.39 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.546 HD11 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -69.63 -5.99 28.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . 0.546 ' N ' HD11 ' B' ' 597' ' ' LEU . 21.8 mt-10 -83.88 2.39 38.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.5 t -140.65 132.46 14.13 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.67 0.748 . . . . 0.0 110.839 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.06 -21.72 59.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 50.1 m -86.25 -53.26 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -52.62 -57.76 8.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -59.54 -35.75 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -51.57 69.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -62.95 -51.59 66.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 94.1 t -52.28 -52.91 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.97 -51.6 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -55.42 -52.29 64.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.83 -59.92 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 40.7 t -50.83 -41.97 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.11 94.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.7 -39.26 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 45.8 mt -51.1 -35.44 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -52.67 -30.76 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -62.42 -32.31 73.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -103.39 -68.39 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -144.51 123.78 13.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -53.49 -72.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -112.65 -22.77 10.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -83.62 55.74 3.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -101.7 88.06 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.811 0.338 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -145.42 -176.47 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.9 t -116.14 -43.16 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -60.7 -175.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -53.96 173.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 pp -127.69 -176.34 3.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -103.53 135.54 44.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.7 p -87.06 -18.43 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -70.1 -20.41 63.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.56 123.98 11.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -52.02 160.43 1.18 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -89.02 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.361 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -172.06 -168.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.41 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 84.3 t -94.54 107.91 33.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.655 0.74 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 77' ' ' VAL . 53.6 Cg_endo -69.7 -170.41 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -91.89 45.85 1.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.3 m -146.15 153.96 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -88.97 -34.31 16.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.6 -177.31 4.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 110.919 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 59.85 72.46 0.77 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.739 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 168.24 22.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 22.5 tp -96.44 149.64 21.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 10.2 t -165.78 160.5 17.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.37 66.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 1.8 t -52.21 -49.17 64.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 6.4 mtm -57.34 -35.45 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 7.7 mp -96.06 26.48 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -109.3 -25.23 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 6.2 t -125.97 31.36 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -129.46 160.36 64.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.28 19.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -95.27 -42.17 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.31 -16.86 63.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.51 -70.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.31 -29.77 58.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.52 -65.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 57.3 mtm -60.09 -52.94 63.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.4 tt -51.42 -60.27 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.93 -31.62 72.8 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.432 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -67.21 -43.35 82.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -76.77 -33.87 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.82 -26.61 57.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.515 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -48.51 -58.0 9.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.672 0.749 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.76 -41.86 3.9 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.41 -36.11 42.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 96.4 mt -75.52 -33.78 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.1 -21.36 31.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.979 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -50.87 -31.86 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.29 -36.07 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -128.41 75.44 79.24 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -7.77 21.93 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.3 p -99.93 -50.08 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -91.11 13.05 18.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.62 -54.09 37.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.86 -50.14 39.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -63.48 -47.29 82.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.725 0.297 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 16.3 mt -56.91 -60.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.8 t -56.87 -34.12 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.97 -59.62 9.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 41.6 mtm -62.27 -46.37 89.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.826 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.445 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.6 mp -59.49 -29.34 67.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 8.7 tt -81.44 -20.88 39.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' B' ' 588' ' ' ILE . 4.2 tm-20 -77.86 -56.86 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -33.62 -62.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.14 113.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -53.17 -46.16 68.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.11 -45.12 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -60.54 -40.43 91.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.3 -37.96 89.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.39 -15.15 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -110.39 -17.25 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 29.4 mtm -91.84 -34.51 14.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.489 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -64.69 -12.51 47.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . 0.403 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.5 pt-20 -94.16 30.76 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.31 137.79 9.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 110.91 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -48.96 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.747 2.298 . . . . 0.0 112.339 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -64.19 -15.82 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 71.2 m -90.42 -48.97 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.49 -63.94 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -54.65 -43.86 72.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.5 t -53.16 -52.91 57.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -59.29 -57.58 12.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 92.4 t -50.05 -53.24 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -56.3 -53.63 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -52.39 -53.23 47.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -52.02 -60.28 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 38.0 t -50.78 -37.16 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.29 93.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 89.2 t -65.15 -41.31 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 35.9 mt -51.24 -31.09 19.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -52.31 -29.55 23.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -67.96 -35.81 79.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -99.43 -74.9 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -145.01 119.11 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -97.89 50.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? 52.05 51.09 17.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -120.68 83.14 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -136.11 122.39 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.822 0.344 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -149.6 135.52 18.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.2 p -125.55 35.98 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.75 -74.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -163.14 148.46 11.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 pp -110.49 -174.74 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -111.07 135.69 51.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.8 p -81.7 -10.32 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -70.01 -19.26 63.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.83 125.87 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -51.04 157.24 1.49 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.592 0.71 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -89.56 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -172.43 -170.24 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.0 t -109.88 83.17 2.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 177.53 5.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.635 2.223 . . . . 0.0 112.388 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -125.34 30.68 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -104.59 82.24 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -59.08 -47.59 84.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -95.93 151.32 19.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 54.91 71.03 1.4 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 152.62 69.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 17.4 tp -68.64 163.93 22.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 1.3 m -159.98 149.69 18.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -51.99 -29.6 21.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 30.9 t -53.43 -38.51 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -52.65 -52.55 55.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 8.5 mp -95.45 31.22 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.2 -48.93 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 26.6 m -105.34 32.67 4.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -124.3 160.42 52.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.584 0.707 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.71 23.65 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.742 2.295 . . . . 0.0 112.338 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.8 27.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -95.71 -41.99 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.0 -19.73 65.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -58.5 -66.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -53.14 -31.06 40.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -64.39 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 45.8 mtm -61.7 -54.22 45.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.8 tt -53.57 -56.29 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.45 -44.7 96.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.66 -38.14 86.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -76.44 -32.84 58.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -25.66 55.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.517 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.63 -57.98 10.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.722 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.78 -45.26 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.61 -34.2 36.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 88.4 mt -76.58 -31.88 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -59.44 -19.53 48.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.75 -27.82 13.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.48 -37.03 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -128.34 75.56 78.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 110.828 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -7.81 22.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.712 2.274 . . . . 0.0 112.33 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.3 p -100.62 -46.15 5.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.93 15.27 15.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.08 -55.86 23.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.03 -50.91 31.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -62.5 -49.14 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 23.7 mt -55.85 -60.26 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 9.3 t -56.63 -32.63 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.46 -60.4 8.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 36.4 mtm -63.37 -45.39 91.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.45 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.7 mp -59.02 -31.46 68.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 6.5 tt -80.38 -19.86 45.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 20.3 tp10 -77.06 -58.4 3.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.51 -62.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.15 112.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -52.54 -46.46 66.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -43.31 61.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -61.78 -37.87 85.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.04 -40.51 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.74 -16.82 59.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -107.07 -20.33 13.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 22.7 mtm -84.77 -41.97 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -63.02 -14.24 45.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.15 -16.42 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.02 144.12 46.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -48.74 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.312 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -58.14 -23.88 56.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 26.7 t -84.51 -49.63 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -51.87 -63.93 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -54.25 -44.04 71.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 12.8 t -51.26 -51.38 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -61.16 -54.2 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 99.2 t -51.18 -48.8 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -58.2 -52.83 63.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -53.37 -53.79 45.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.44 -60.57 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 58.5 t -50.11 -42.46 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.16 88.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 97.3 t -65.65 -39.18 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 15.8 mt -51.48 -29.52 16.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -51.54 -29.71 17.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -69.75 -37.32 76.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -82.73 -36.38 25.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 58.48 55.74 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -84.19 -70.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -78.08 -25.7 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -83.22 55.91 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -105.8 94.43 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.824 0.345 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -121.46 -168.37 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.1 t -110.96 -23.84 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -101.33 -71.54 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.56 160.54 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 pp -106.09 172.06 7.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -106.5 137.16 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.11 -3.34 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -69.67 -19.88 63.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.9 121.06 9.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.08 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -52.13 159.92 1.36 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -89.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -172.06 -168.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.8 t -109.97 82.47 2.48 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.643 0.735 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -178.55 2.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.372 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -115.33 27.67 9.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.68 -26.57 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -166.64 109.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -174.13 164.25 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 52.06 68.31 3.29 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.628 0.728 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.88 23.17 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.727 2.284 . . . . 0.0 112.329 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.66 133.82 55.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.78 168.57 25.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -53.5 -28.15 29.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 25.4 p -59.83 -40.0 87.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 40.2 mmm -54.39 -37.53 65.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 9.0 mp -95.94 25.7 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -104.27 -39.11 6.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 76.9 p -108.95 27.88 9.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -125.94 160.23 57.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.541 0.686 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.06 22.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.66 24.18 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.749 2.3 . . . . 0.0 112.341 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -97.18 -40.51 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -66.1 -21.09 66.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -57.52 -64.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -51.61 -34.18 36.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -62.21 -71.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 37.3 mtm -58.0 -56.02 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.3 tt -50.56 -60.39 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.67 -39.58 86.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -58.45 -47.73 83.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -74.74 -25.74 59.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -26.77 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.509 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.95 -57.95 10.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 110.933 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.77 -38.22 8.08 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.636 2.224 . . . . 0.0 112.362 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.59 -38.37 66.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.35 -33.69 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -58.93 -19.83 46.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.57 -28.12 30.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.55 -38.31 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -125.27 73.3 66.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 110.826 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -7.49 21.22 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.619 2.212 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 4.3 p -92.61 -58.01 2.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -92.19 15.1 14.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.9 -33.99 18.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.11 -72.02 0.74 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -48.7 -41.63 32.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.712 0.292 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 49.2 mt -55.41 -59.4 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -31.24 65.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.37 -57.94 13.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 35.2 mtm -65.89 -42.5 90.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.57 -30.35 70.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 7.7 tt -83.9 -19.18 35.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' B' ' 588' ' ' ILE . 0.9 OUTLIER -77.01 -55.2 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.463 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.05 -61.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.47 109.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -52.22 -45.54 65.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -36.86 63.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -67.6 -33.91 75.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 1.6 mt -73.19 -34.8 66.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.33 -15.7 60.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -118.31 -15.29 9.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -89.44 -20.84 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.534 HD12 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -68.22 -7.99 35.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . 0.534 ' N ' HD12 ' B' ' 597' ' ' LEU . 12.4 mt-10 -92.03 -14.37 29.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.81 121.05 55.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.699 0.761 . . . . 0.0 110.862 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -64.79 -22.44 66.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 72.5 m -82.75 -49.33 9.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -50.71 -56.5 11.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -55.66 -37.81 68.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 31.1 t -64.66 -45.36 87.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -59.71 -57.57 12.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 64.5 t -54.2 -50.64 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -55.71 -53.91 50.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -51.94 -52.93 46.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.66 -60.51 3.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 57.5 t -50.6 -36.86 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.42 93.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.21 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.51 -30.43 20.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -51.82 -30.22 22.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -66.45 -36.71 83.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -99.62 -74.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -159.8 144.13 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -141.14 72.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm 52.87 29.3 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -109.09 57.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -119.58 112.12 18.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.058 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.859 0.361 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -137.13 134.32 36.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -76.01 -31.12 58.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -55.4 175.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -52.07 165.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 pp -131.1 -175.43 3.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -108.56 137.27 46.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 p -86.94 -16.23 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.9 -17.13 63.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.23 123.32 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -51.28 159.39 1.12 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -89.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.312 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -172.1 -169.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.97 82.46 2.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -178.87 2.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -126.95 34.82 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.35 157.26 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -87.83 -53.03 4.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 39.43 41.63 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -123.94 68.78 45.93 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.636 0.731 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -171.25 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.697 2.264 . . . . 0.0 112.329 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.56 129.87 30.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 1.3 m -154.18 164.06 39.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -65.81 -27.55 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -36.3 82.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.44 -37.71 57.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.2 mt -101.3 36.26 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -89.39 -68.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 12.0 p -94.69 41.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -127.67 159.96 63.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.564 0.697 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.38 21.75 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.665 2.244 . . . . 0.0 112.309 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -7.41 21.01 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.668 2.246 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -92.61 -52.78 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.68 -24.36 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -51.79 -62.52 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -64.3 -25.11 67.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -68.3 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 45.3 mtm -60.96 -44.97 96.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.4 -57.23 12.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.53 -38.68 93.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.49 -39.47 91.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -76.84 -34.71 57.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.9 -25.7 56.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.04 -58.25 9.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.72 -42.52 3.37 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.14 -36.5 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 96.5 mt -75.43 -34.35 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -57.39 -21.52 36.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -52.7 -31.22 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.55 -38.55 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -127.07 74.59 76.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.704 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -7.79 21.95 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.01 -42.39 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.37 15.03 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.38 -53.52 52.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.39 -50.74 34.28 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -63.38 -49.04 75.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 20.3 mt -55.4 -60.6 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 7.8 t -56.21 -33.6 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.45 -60.24 8.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 34.8 mtm -64.79 -44.91 88.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.416 ' O ' HG13 ' B' ' 588' ' ' ILE . 9.8 mp -58.82 -30.25 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' B' ' 593' ' ' LEU . 2.9 tt -82.8 -19.15 38.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tt0 -76.07 -56.34 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.98 -60.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.84 103.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -51.03 -42.87 60.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.91 -39.47 68.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.27 -33.75 76.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' B' ' 586' ' ' LEU . 2.4 mt -72.33 -34.67 68.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 54.6 mt -61.22 -17.5 53.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -118.73 -15.2 9.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.12 -19.78 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.507 HD12 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -68.87 -7.8 37.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . 0.507 ' N ' HD12 ' B' ' 597' ' ' LEU . 2.1 mt-10 -85.95 -15.55 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 37.7 t -100.17 121.22 54.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.83 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.722 2.282 . . . . 0.0 112.319 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.45 -19.6 65.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 20.0 m -86.27 -49.29 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -51.23 -62.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -57.53 -36.09 71.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.4 t -62.03 -48.23 81.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -62.2 -53.78 50.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 93.3 t -51.09 -51.83 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -57.28 -51.1 70.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -55.73 -51.63 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -52.45 -59.83 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 39.6 t -50.6 -42.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.85 95.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.91 -38.19 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 29.7 mt -50.27 -32.08 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -53.34 -37.71 62.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -57.24 -30.95 65.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -102.01 -73.68 0.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -156.01 139.7 16.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -103.36 62.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 18.5 tptp 53.01 31.65 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 53.93 53.45 11.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -118.58 -50.62 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -121.96 116.82 25.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.1 t -69.98 -24.89 63.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -57.76 -178.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -51.48 140.57 17.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 pp -121.94 168.2 12.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -89.73 137.45 32.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.8 p -93.79 -13.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -70.07 -11.01 60.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.8 119.33 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 155.86 2.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -89.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -172.12 -169.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.1 t -109.88 82.54 2.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.631 0.729 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -170.72 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.227 . . . . 0.0 112.371 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -118.31 28.33 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.4 t -92.7 -53.63 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -121.38 45.69 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -127.18 165.35 19.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.938 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 52.19 68.72 2.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 172.44 12.63 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 46.4 tp -72.42 144.12 48.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 9.0 t -139.65 167.59 21.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -58.33 -25.28 61.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 31.6 m -52.02 -44.22 64.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -57.59 -51.0 71.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.2 30.76 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -101.2 -50.19 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.081 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 6.2 p -105.59 30.36 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -120.99 160.6 44.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.7 23.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.367 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.85 24.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -94.26 -51.49 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -57.47 -23.67 51.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -52.03 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -34.9 70.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -62.95 -67.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 49.6 mtm -57.71 -59.02 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 10.6 tt -51.62 -59.99 3.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.33 -45.6 65.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.23 -44.43 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -73.26 -27.9 61.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 2.6 mp -75.9 -27.02 57.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.512 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.2 -58.06 9.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.855 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.73 -38.8 7.37 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.373 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -52.96 -39.9 63.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 17.1 mt -75.28 -32.44 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.89 -19.34 50.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.55 68.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.73 -24.68 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -142.29 73.57 21.26 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.702 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.16 20.36 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.661 2.24 . . . . 0.0 112.321 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 3.2 p -93.27 -60.53 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -90.11 13.87 13.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -49.39 -32.59 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.67 -73.98 0.49 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -48.02 -41.32 25.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 53.7 mt -55.61 -60.17 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -31.59 63.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.87 -59.95 8.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 33.0 mtm -64.57 -43.34 94.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.413 ' O ' HG13 ' B' ' 588' ' ' ILE . 7.4 mp -60.37 -29.99 69.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 2.7 tt -83.68 -18.99 36.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tm-20 -76.87 -55.21 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.464 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.01 -60.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.19 105.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -51.69 -45.09 63.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.55 -38.34 63.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -67.17 -33.83 76.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 2.1 mt -72.22 -34.84 68.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.66 -17.42 55.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -118.5 -15.04 9.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -89.36 -18.32 27.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.534 HD12 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -69.84 -7.03 36.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . 0.534 ' N ' HD12 ' B' ' 597' ' ' LEU . 2.7 mt-10 -90.28 -15.04 32.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 36.8 t -98.16 121.9 55.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -41.3 4.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.86 -18.54 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.4 t -85.13 -51.35 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 6.6 tp -51.44 -63.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -54.94 -37.96 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 14.2 t -60.62 -51.94 67.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -57.4 -55.21 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 92.0 t -51.83 -44.78 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -59.34 -56.9 16.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -52.6 -51.25 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.42 -60.17 3.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 86.6 t -50.52 -42.23 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.31 89.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.43 -40.58 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 11.5 mt -51.65 -29.45 17.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -51.81 -29.95 21.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -70.01 -42.27 73.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -89.53 -75.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -137.25 133.02 34.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -103.76 76.2 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt 61.38 32.06 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -62.73 -29.25 70.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -99.47 109.13 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.833 0.349 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -115.49 116.95 29.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.1 m -94.23 -14.11 25.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -61.29 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -168.4 145.49 3.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 pp -126.85 -175.76 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -109.24 138.78 45.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 p -85.05 -17.38 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -69.89 -18.81 63.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.43 124.17 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.047 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -51.61 160.72 0.97 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -89.27 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.636 2.224 . . . . 0.0 112.318 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -171.98 -168.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.7 t -109.55 83.62 2.71 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.561 0.696 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 178.16 4.84 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -97.49 72.63 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.6 p -149.54 135.32 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -52.08 -43.03 63.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.929 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 39.27 42.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -137.96 72.79 47.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.641 0.734 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 156.18 64.22 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 14.6 tp -79.62 138.9 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 19.7 p -145.17 179.76 7.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -64.77 -28.42 69.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 4.8 p -65.07 -28.21 69.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 4.5 mmt -60.64 -49.2 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.7 mt -86.32 -21.54 27.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -51.5 -51.47 54.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.0 t -93.71 41.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -146.18 160.74 41.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 554' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 168.69 20.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.55 21.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.278 . . . . 0.0 112.301 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.09 -47.7 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -23.77 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -53.18 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -50.92 -32.54 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -64.44 -71.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 46.4 mtm -54.19 -55.68 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . . . . . . . . . 8.1 tt -51.16 -60.17 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.47 67.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -57.01 -47.68 80.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -71.13 -26.79 63.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.3 mp -75.73 -27.28 58.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 567' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.17 -58.25 9.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.672 0.748 . . . . 0.0 110.833 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 568' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.68 -38.02 8.54 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 569' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.91 -42.68 62.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 8.7 mt -75.52 -33.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.84 -20.14 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -55.06 -25.82 33.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 573' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.78 -41.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 574' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -122.29 74.61 41.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -7.25 20.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.361 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 3.2 p -95.22 -53.71 3.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 577' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.39 12.22 19.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.3 -33.32 28.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.8 -59.02 8.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -62.29 -40.04 94.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 581' ' ' ILE . . . . . . . . . . . . . 61.4 mt -58.38 -62.05 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 6.5 t -56.95 -34.02 67.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.02 -59.83 9.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 584' ' ' MET . . . . . . . . . . . . . 37.9 mtm -65.16 -45.82 83.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 585' ' ' LEU . . . . . 0.419 ' O ' HG13 ' B' ' 588' ' ' ILE . 9.8 mp -57.85 -29.25 64.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 tt -83.56 -19.61 35.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 587' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.5 tp10 -77.3 -55.15 5.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 588' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.7 OUTLIER -33.26 -61.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.79 106.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -52.46 -40.72 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 2.2 t -55.34 -39.18 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -67.94 -33.81 75.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 593' ' ' LEU . . . . . . . . . . . . . 2.3 mt -71.7 -35.99 70.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.83 -16.45 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -118.74 -12.08 9.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -88.21 -23.4 23.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 597' ' ' LEU . . . . . 0.504 HD11 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -69.55 -6.5 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 598' ' ' GLU . . . . . 0.504 ' N ' HD11 ' B' ' 597' ' ' LEU . 13.3 mt-10 -89.03 9.02 26.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 48.4 t -134.05 128.38 19.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -48.3 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.19 -18.74 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 23.2 m -84.76 -54.16 4.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 603' ' ' LEU . . . . . . . . . . . . . 7.1 tp -52.21 -58.51 6.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -57.33 -41.34 79.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.4 t -54.87 -53.21 58.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.4 -54.3 48.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 607' ' ' VAL . . . . . . . . . . . . . 93.9 t -51.13 -52.02 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.75 -51.23 69.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -55.38 -52.16 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 610' ' ' ALA . . . . . . . . . . . . . . . -51.73 -60.17 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 611' ' ' VAL . . . . . . . . . . . . . 40.4 t -50.24 -43.3 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.56 88.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 613' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.33 -40.87 90.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.04 -36.13 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -53.34 -34.47 57.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -57.37 -24.33 54.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -111.26 -64.12 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.44 141.61 21.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.55 -71.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -137.51 26.77 2.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 58.0 43.65 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -108.05 106.79 17.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.64 ' HG3' HG22 ' B' ' 613' ' ' VAL . 22.8 tt0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.834 0.35 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.675 HD12 HG11 ' B' ' 613' ' ' VAL . 2.7 pp -119.73 -176.74 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -92.14 137.41 32.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.579 ' HB ' HG12 ' B' ' 613' ' ' VAL . 7.4 p -92.19 -20.08 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -69.76 -16.9 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.47 116.38 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -51.41 160.3 0.99 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.562 0.696 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -89.06 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -172.24 -169.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.4 m -110.05 82.2 2.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.817 0.341 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.74 99.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 23.3 t -95.97 33.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -140.41 160.45 59.49 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.0 Cg_endo -69.71 168.63 20.93 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 555' ' ' PRO . . . . . 0.417 ' HA ' ' HG3' ' B' ' 558' ' ' GLN . 53.4 Cg_endo -69.88 -7.75 21.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -93.39 -50.69 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.68 -23.54 64.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 558' ' ' GLN . . . . . 0.417 ' HG3' ' HA ' ' B' ' 555' ' ' PRO . 3.7 mt-30 -52.82 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.683 ' HB2' HD11 ' B' ' 586' ' ' LEU . 24.7 pttt -51.64 -32.32 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -61.53 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.2 mtm -61.88 -54.94 35.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.778 HD13 ' HB3' ' B' ' 590' ' ' ASN . 9.2 tt -52.0 -60.13 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.41 -38.32 78.94 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -62.83 -42.05 99.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.375 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -75.96 -31.72 59.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -26.05 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.533 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.53 -57.8 10.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.2 Cg_endo -69.84 -40.8 4.78 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.574 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -53.13 -35.5 59.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.599 HD13 HG22 ' B' ' 581' ' ' ILE . 91.4 mt -75.36 -33.9 28.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -56.46 -21.81 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.11 -32.45 22.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.797 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -120.37 -33.4 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.795 ' CE1' HG21 ' B' ' 611' ' ' VAL . 10.1 m80 -130.77 75.55 78.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.805 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -7.57 21.39 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.732 2.288 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.7 p -98.46 -55.37 2.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.454 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -88.47 8.88 25.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 578' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.08 -35.63 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.54 -70.08 1.14 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 580' ' ' LYS . . . . . 0.668 ' HE2' HD22 ' B' ' 614' ' ' LEU . 7.6 mtpt -51.03 -41.48 59.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.599 HG22 HD13 ' B' ' 570' ' ' ILE . 48.3 mt -54.91 -60.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.459 ' HB ' HD12 ' B' ' 570' ' ' ILE . 0.6 OUTLIER -58.62 -29.92 66.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.81 -59.23 9.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.705 ' HE1' ' HB1' ' B' ' 610' ' ' ALA . 35.1 mtm -62.53 -44.0 97.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.528 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.4 mp -61.72 -29.93 70.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' B' ' 559' ' ' LYS . 4.9 tt -81.44 -20.09 41.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.5 tp10 -77.48 -57.21 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -33.85 -62.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.25 112.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.778 ' HB3' HD13 ' B' ' 562' ' ' LEU . 45.1 m-20 -52.15 -45.65 65.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.91 -45.44 60.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.11 -38.8 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.682 HD12 HD21 ' B' ' 562' ' ' LEU . 3.0 mt -65.06 -38.03 89.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.12 -16.48 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -110.88 -16.47 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 596' ' ' MET . . . . . 0.44 ' HE3' ' HG3' ' B' ' 606' ' ' LYS . 23.2 mtm -90.84 -35.26 14.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.824 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -63.78 -13.22 42.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.824 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.6 pt-20 -94.85 31.76 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.85 136.95 6.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -48.96 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.656 2.237 . . . . 0.0 112.386 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.13 -20.13 56.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 18.0 t -91.35 -55.82 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.469 HD13 ' C ' ' B' ' 603' ' ' LEU . 3.1 tm? -51.84 -61.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -54.91 -35.32 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.3 t -63.2 -50.53 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.451 ' HB3' HD21 ' B' ' 585' ' ' LEU . 30.7 mmmt -59.69 -57.18 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.797 HG11 ' HG3' ' B' ' 573' ' ' MET . 95.6 t -50.76 -51.42 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -56.97 -52.31 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 609' ' ' GLU . . . . . 0.469 ' O ' HG23 ' B' ' 613' ' ' VAL . 0.3 OUTLIER -53.88 -54.51 37.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.705 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -50.38 -59.82 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.795 HG21 ' CE1' ' B' ' 574' ' ' HIS . 58.8 t -49.52 -42.42 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.41 79.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.675 HG11 HD12 ' A' ' 69' ' ' LEU . 93.6 t -67.68 -42.0 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.668 HD22 ' HE2' ' B' ' 580' ' ' LYS . 10.4 mt -63.07 -19.85 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.9 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.805 ' HG ' HG21 ' B' ' 613' ' ' VAL . 1.0 OUTLIER -119.29 -175.99 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -99.08 135.71 40.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.507 ' HB ' HG12 ' B' ' 613' ' ' VAL . 14.9 p -85.25 -22.76 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -70.2 -11.03 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.78 124.03 16.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -51.5 157.47 1.76 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -89.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.302 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.59 ' HB3' HD22 ' B' ' 586' ' ' LEU . 13.2 p90 -172.03 -169.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.84 83.46 2.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.44 -54.86 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 5.7 t -98.27 25.28 6.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -117.18 160.46 37.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.4 Cg_endo -69.78 167.84 23.32 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -11.28 30.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -93.28 -46.64 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 557' ' ' GLU . . . . . 0.421 ' O ' ' HE2' ' B' ' 561' ' ' MET . 41.7 mt-10 -59.28 -25.06 63.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -54.8 -71.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -51.8 -32.72 32.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 560' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' B' ' 557' ' ' GLU . 15.9 mt-30 -62.82 -67.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 561' ' ' MET . . . . . 0.421 ' HE2' ' O ' ' B' ' 557' ' ' GLU . 40.8 mtm -60.92 -55.74 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.767 HD13 ' HB3' ' B' ' 590' ' ' ASN . 9.1 tt -51.74 -58.39 6.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.44 -54.31 38.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.513 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.48 -42.5 61.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -74.12 -27.85 61.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -25.36 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.517 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.19 -58.71 8.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.644 0.735 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -39.96 5.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.524 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -52.46 -40.14 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.625 HD12 ' HB ' ' B' ' 582' ' ' THR . 56.7 mt -75.72 -32.68 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 571' ' ' GLN . . . . . 0.409 ' HG2' ' HA ' ' B' ' 575' ' ' PRO . 32.7 mt-30 -58.47 -19.7 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.34 43.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.734 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -124.66 -38.53 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.732 ' CE1' HG21 ' B' ' 611' ' ' VAL . 12.9 m80 -124.72 75.06 64.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 575' ' ' PRO . . . . . 0.409 ' HA ' ' HG2' ' B' ' 571' ' ' GLN . 53.6 Cg_endo -69.81 -6.44 18.62 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.736 2.291 . . . . 0.0 112.354 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.0 p -96.7 -54.25 3.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.81 14.44 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.66 -39.08 57.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.56 -52.89 35.33 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -62.78 -40.56 97.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.507 HG22 HD22 ' B' ' 585' ' ' LEU . 27.0 mt -61.05 -60.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.625 ' HB ' HD12 ' B' ' 570' ' ' ILE . 8.2 t -57.06 -33.46 67.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.84 -59.32 9.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.707 ' CE ' HD21 ' B' ' 614' ' ' LEU . 39.9 mtm -62.71 -44.47 96.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.552 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.2 mp -60.8 -30.94 70.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 76' ' ' PHE . 7.4 tt -80.24 -19.59 46.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 11.0 tm-20 -77.37 -58.44 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.37 -62.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.77 113.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.767 ' HB3' HD13 ' B' ' 562' ' ' LEU . 54.6 m-20 -53.26 -47.02 69.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -43.48 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -61.33 -38.78 88.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.674 HD12 HD21 ' B' ' 562' ' ' LEU . 3.3 mt -65.17 -40.6 94.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.31 -15.41 60.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -106.45 -20.12 13.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 33.3 mtm -88.02 -40.67 13.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.874 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -63.27 -14.34 48.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.874 ' N ' HD13 ' B' ' 597' ' ' LEU . 1.3 pp20? -71.7 -15.01 62.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.48 147.97 68.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.71 0.767 . . . . 0.0 110.868 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -47.43 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.404 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.97 -23.7 47.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 2.4 m -87.24 -51.92 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.798 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.474 HD13 ' C ' ' B' ' 603' ' ' LEU . 2.2 tm? -54.3 -62.75 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.474 ' N ' HD13 ' B' ' 603' ' ' LEU . 41.5 ttp180 -52.97 -44.63 67.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.4 t -52.19 -51.26 59.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -59.85 -56.08 26.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.734 HG11 ' HG3' ' B' ' 573' ' ' MET . 95.5 t -50.79 -53.13 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -52.42 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -54.25 -53.32 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.69 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -51.12 -60.07 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.732 HG21 ' CE1' ' B' ' 574' ' ' HIS . 39.8 t -49.92 -42.12 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.69 92.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.805 HG21 ' HG ' ' A' ' 69' ' ' LEU . 53.0 t -64.74 -42.26 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.079 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.707 HD21 ' CE ' ' B' ' 584' ' ' MET . 8.3 mt -53.81 -32.88 54.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.844 0.354 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.645 ' CD1' HG21 ' B' ' 613' ' ' VAL . 3.1 pp -125.41 -176.51 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -101.35 136.56 40.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.528 HG23 ' CD2' ' B' ' 614' ' ' LEU . 7.2 p -86.92 -19.19 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -70.05 -17.85 63.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HB1' ' CD ' ' B' ' 587' ' ' GLU . . . -51.43 123.41 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -52.14 160.49 1.2 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -88.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.57 ' HB3' HD22 ' B' ' 586' ' ' LEU . 9.2 p90 -171.84 -169.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.9 t -109.98 82.58 2.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.666 0.746 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' B' ' 558' ' ' GLN . 3.9 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -95.1 -58.89 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.68 23.4 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -112.48 159.8 32.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 111.104 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.3 Cg_endo -69.79 167.4 24.59 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -9.08 25.23 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -95.92 -45.87 6.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 557' ' ' GLU . . . . . 0.411 ' HB3' ' HE2' ' B' ' 561' ' ' MET . 19.0 mm-40 -59.87 -26.79 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 558' ' ' GLN . . . . . 0.58 ' HA ' HD22 ' B' ' 550' ' ' LEU . 6.2 mt-30 -52.02 -68.65 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -56.56 -32.37 65.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -62.48 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 561' ' ' MET . . . . . 0.411 ' HE2' ' HB3' ' B' ' 557' ' ' GLU . 38.5 mtm -61.71 -58.46 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.717 HD21 HD12 ' B' ' 593' ' ' LEU . 8.8 tt -50.93 -55.41 17.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.93 -54.78 35.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -52.19 -42.13 63.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -28.01 61.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.78 -25.95 56.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.71 -58.22 9.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -41.05 4.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.493 HD13 ' C ' ' B' ' 569' ' ' LEU . 3.3 tm? -51.76 -38.39 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.59 HD13 HG22 ' B' ' 581' ' ' ILE . 75.3 mt -75.08 -35.67 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -59.32 -19.36 45.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.45 -26.58 20.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.605 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -126.73 -38.02 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.547 ' O ' ' HB2' ' B' ' 578' ' ' ALA . 16.6 m80 -126.03 72.57 70.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.43 21.02 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 2.241 . . . . 0.0 112.385 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 9.0 p -89.65 -61.84 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.46 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.7 mm? -89.25 11.38 19.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 578' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -48.25 -31.81 6.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.88 -76.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 580' ' ' LYS . . . . . 0.649 ' HD3' HD22 ' B' ' 614' ' ' LEU . 41.4 mttm -48.26 -38.47 18.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.714 0.292 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.59 HG22 HD13 ' B' ' 570' ' ' ILE . 59.5 mt -56.21 -59.94 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.6 -31.24 67.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.79 -60.04 8.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.627 ' HE1' ' HB1' ' B' ' 610' ' ' ALA . 35.8 mtm -62.73 -43.09 99.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.531 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.0 mp -61.44 -30.38 70.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.593 ' HA ' HD11 ' B' ' 593' ' ' LEU . 6.9 tt -81.32 -19.95 41.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' B' ' 588' ' ' ILE . 8.0 tt0 -77.46 -57.38 3.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -33.68 -62.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.13 113.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.663 ' HB3' HD13 ' B' ' 562' ' ' LEU . 79.9 m-20 -52.98 -43.67 66.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 2.7 t -51.23 -45.89 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.65 -39.11 87.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.717 HD12 HD21 ' B' ' 562' ' ' LEU . 3.0 mt -64.78 -37.81 88.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.92 -16.46 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -109.02 -17.28 13.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 26.8 mtm -90.92 -35.97 14.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.835 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -64.68 -12.64 48.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.835 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.9 pt-20 -94.51 31.37 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.97 142.66 2.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.845 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -48.82 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.32 -20.47 54.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.7 m -89.0 -55.63 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.513 HD21 ' HE1' ' B' ' 573' ' ' MET . 15.6 tp -58.59 -56.61 19.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -55.69 -34.73 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 6.2 t -64.7 -51.46 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.433 ' HB3' HD21 ' B' ' 585' ' ' LEU . 30.6 mmmt -60.82 -57.23 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.629 ' O ' HG23 ' B' ' 611' ' ' VAL . 95.5 t -50.85 -50.53 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.49 -53.49 57.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 609' ' ' GLU . . . . . 0.473 ' OE2' HD23 ' A' ' 69' ' ' LEU . 24.9 tt0 -54.53 -54.3 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.627 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -50.24 -60.18 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 607' ' ' VAL . 58.7 t -49.79 -42.79 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.66 88.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.645 HG21 ' CD1' ' A' ' 69' ' ' LEU . 98.8 t -64.38 -42.37 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.649 HD22 ' HD3' ' B' ' 580' ' ' LYS . 19.8 mt -61.43 -19.93 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.688 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.1 pp -116.92 179.62 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -96.42 135.55 38.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.416 ' HB ' HG12 ' B' ' 613' ' ' VAL . 7.6 p -88.75 -20.76 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -71.07 -15.0 62.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.05 120.87 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -51.51 160.21 1.05 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -88.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.299 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.495 ' HB3' HD13 ' B' ' 586' ' ' LEU . 12.2 p90 -171.85 -168.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.535 HG23 ' CE ' ' B' ' 559' ' ' LYS . 87.1 t -109.9 82.66 2.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 111.072 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.222 . . . . 0.0 112.321 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -97.15 -50.74 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.09 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 13.6 m -100.97 37.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -128.71 160.44 62.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.575 0.702 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.2 Cg_endo -69.69 167.73 23.51 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -96.61 -42.64 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.71 -21.4 66.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -56.86 -72.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.535 ' CE ' HG23 ' A' ' 77' ' ' VAL . 14.0 ptmt -54.49 -30.57 53.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -64.52 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 68.1 mtm -56.77 -57.12 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.755 HD21 HD12 ' B' ' 593' ' ' LEU . 9.2 tt -50.74 -60.32 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.38 -40.07 75.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -55.98 -52.65 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -71.72 -23.75 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.31 -27.79 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.504 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.07 -58.96 7.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.8 -36.1 11.32 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.537 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.9 OUTLIER -52.72 -43.99 66.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 10.8 mt -75.41 -31.99 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.127 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -59.26 -19.35 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.31 -23.59 49.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.54 ' CE ' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -128.56 -41.45 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.597 ' CD2' HG21 ' B' ' 611' ' ' VAL . 40.4 m80 -122.86 74.12 46.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.729 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -7.28 20.66 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.468 ' OG1' HD22 ' B' ' 577' ' ' LEU . 10.0 p -92.62 -55.89 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.468 HD22 ' OG1' ' B' ' 576' ' ' THR . 2.7 mm? -92.07 16.78 10.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.94 -37.13 51.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.83 -54.98 22.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 580' ' ' LYS . . . . . 0.611 ' HD3' HD22 ' B' ' 614' ' ' LEU . 25.2 mttp -63.05 -39.54 95.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.441 HG22 HD22 ' B' ' 585' ' ' LEU . 50.2 mt -60.46 -60.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.6 t -56.62 -34.41 67.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.77 -59.24 10.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.543 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.632 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 44.6 mtm -62.57 -44.47 96.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.533 ' O ' HD11 ' B' ' 593' ' ' LEU . 7.1 mp -62.58 -25.82 68.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.55 ' HA ' HD11 ' B' ' 593' ' ' LEU . 5.5 tt -81.78 -23.15 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tt0 -77.49 -55.45 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.449 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -33.92 -61.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.44 109.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.676 ' HB3' HD13 ' B' ' 562' ' ' LEU . 81.2 m-20 -52.94 -46.62 68.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.94 -42.77 60.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.06 -40.25 95.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.755 HD12 HD21 ' B' ' 562' ' ' LEU . 1.9 mt -63.95 -39.15 93.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.68 -11.45 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -116.57 -12.05 11.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 33.5 mtm -90.13 -26.91 19.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.729 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -70.63 -5.96 33.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.551 ' N ' HD13 ' B' ' 597' ' ' LEU . 4.8 mt-10 -88.01 -2.1 58.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.79 138.9 29.17 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -60.02 -19.87 54.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 70.1 m -86.46 -56.07 3.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.54 HD11 ' CE ' ' B' ' 573' ' ' MET . 9.5 tp -54.83 -56.68 16.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -56.4 -42.0 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.2 t -56.23 -53.14 60.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -56.15 -55.5 32.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.55 ' O ' HG23 ' B' ' 611' ' ' VAL . 85.0 t -54.48 -50.67 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.64 -56.43 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -52.15 -53.34 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.632 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -50.62 -60.32 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.597 HG21 ' CD2' ' B' ' 574' ' ' HIS . 73.1 t -49.59 -41.67 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.65 93.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.688 HG21 ' HG ' ' A' ' 69' ' ' LEU . 95.3 t -63.45 -44.58 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.611 HD22 ' HD3' ' B' ' 580' ' ' LYS . 21.9 mt -54.4 -44.56 72.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.908 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.691 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.7 pp -113.11 -175.54 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -105.68 131.33 53.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 71' ' ' VAL . 7.3 p -81.28 -4.53 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.94 -25.1 63.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.428 ' HB1' ' HG3' ' B' ' 587' ' ' GLU . . . -51.71 122.67 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -51.46 160.54 0.96 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -89.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.426 ' HB3' HD22 ' B' ' 586' ' ' LEU . 8.0 p90 -172.01 -168.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.8 t -109.71 83.05 2.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.331 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -108.03 -29.72 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 1.1 m -114.9 24.55 11.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -124.73 159.99 55.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.1 Cg_endo -69.66 167.29 24.72 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.752 2.301 . . . . 0.0 112.343 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -8.89 24.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -96.57 -41.07 8.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 557' ' ' GLU . . . . . 0.416 ' HG2' ' HE1' ' B' ' 561' ' ' MET . 0.5 OUTLIER -68.33 -18.85 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -58.33 -66.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.41 ' O ' HD11 ' B' ' 586' ' ' LEU . 1.9 ptpm? -51.57 -33.14 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -68.91 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 561' ' ' MET . . . . . 0.416 ' HE1' ' HG2' ' B' ' 557' ' ' GLU . 49.0 mtm -58.12 -54.4 47.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.665 HD21 HD12 ' B' ' 593' ' ' LEU . 9.3 tt -50.46 -60.65 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.94 -33.31 73.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.44 -42.4 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -77.19 -34.07 56.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' B' ' 562' ' ' LEU . 0.2 OUTLIER -75.73 -26.81 57.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -48.41 -58.17 8.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.82 -42.78 3.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.552 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -51.34 -35.65 39.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.761 HD12 ' HB ' ' B' ' 582' ' ' THR . 94.0 mt -75.81 -34.41 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -56.85 -22.17 34.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.24 -32.94 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.713 ' CE ' HG21 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -116.82 -37.9 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.662 ' CE1' HG21 ' B' ' 611' ' ' VAL . 12.3 m80 -128.27 76.14 78.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -7.88 22.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.2 p -100.31 -47.56 4.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -93.75 12.11 26.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.39 -53.12 49.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.51 -52.02 30.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 580' ' ' LYS . . . . . 0.449 ' HB2' HD11 ' B' ' 614' ' ' LEU . 13.7 mmtm -62.66 -48.28 80.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.66 HG22 HD22 ' B' ' 585' ' ' LEU . 17.7 mt -54.67 -60.71 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.761 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.4 t -57.52 -32.72 67.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.33 -60.53 8.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.623 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 35.7 mtm -64.91 -45.39 86.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.66 HD22 HG22 ' B' ' 581' ' ' ILE . 6.9 mp -57.97 -30.53 66.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.574 ' HA ' HD11 ' B' ' 593' ' ' LEU . 5.3 tt -82.78 -19.49 37.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -76.92 -56.52 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.66 -62.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.24 111.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.625 ' HB3' HD13 ' B' ' 562' ' ' LEU . 90.9 m-20 -51.66 -46.38 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.77 -39.41 58.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.82 -33.38 75.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.665 HD12 HD21 ' B' ' 562' ' ' LEU . 3.1 mt -71.83 -36.31 70.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.74 -21.44 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.66 -16.32 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 4.0 tmm? -89.27 -37.09 15.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.858 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -64.94 -12.69 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.858 ' N ' HD13 ' B' ' 597' ' ' LEU . 1.4 pp20? -73.62 -8.33 55.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 22.8 t -123.31 137.46 28.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 110.935 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -59.46 -26.01 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.11 -51.4 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.57 HD11 ' HE3' ' B' ' 573' ' ' MET . 1.6 tm? -52.98 -60.04 3.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.515 ' N ' HD13 ' B' ' 603' ' ' LEU . 22.8 ttm180 -56.15 -41.55 75.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.4 t -56.28 -50.83 70.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -58.74 -53.74 54.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.713 HG21 ' CE ' ' B' ' 573' ' ' MET . 83.9 t -51.59 -51.78 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.22 -48.49 73.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 609' ' ' GLU . . . . . 0.503 ' O ' HG23 ' B' ' 613' ' ' VAL . 8.8 tp10 -57.3 -53.33 59.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.623 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.38 -60.17 3.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.662 HG21 ' CE1' ' B' ' 574' ' ' HIS . 57.4 t -50.87 -46.17 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.0 74.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.691 HG21 ' HG ' ' A' ' 69' ' ' LEU . 96.6 t -64.57 -42.58 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.449 HD11 ' HB2' ' B' ' 580' ' ' LYS . 12.9 mt -50.43 -36.95 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.546 ' HG3' HG22 ' B' ' 613' ' ' VAL . 35.1 tt0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.686 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -114.51 -178.96 3.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -100.68 131.86 46.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.441 HG23 ' CD2' ' B' ' 614' ' ' LEU . 14.5 p -84.83 -12.46 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.72 -22.97 63.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.29 119.24 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.48 161.39 0.83 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.714 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HA ' ' HA3' ' B' ' 583' ' ' GLY . 53.8 Cg_endo -69.81 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -172.61 -169.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.7 t -109.74 83.09 2.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.387 179.928 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' B' ' 558' ' ' GLN . 4.8 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.62 80.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.4 t -95.69 25.67 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -127.78 160.49 60.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 111.135 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.4 Cg_endo -69.8 167.47 24.4 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 555' ' ' PRO . . . . . 0.4 ' HA ' ' HG3' ' B' ' 558' ' ' GLN . 53.5 Cg_endo -69.77 -8.19 22.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.739 2.293 . . . . 0.0 112.348 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -97.42 -44.25 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.43 -18.12 65.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 558' ' ' GLN . . . . . 0.446 ' HA ' HD22 ' B' ' 550' ' ' LEU . 5.2 mt-30 -56.83 -65.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.619 ' HB2' HD21 ' B' ' 586' ' ' LEU . 25.4 pttt -58.8 -30.26 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -60.66 -66.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 38.1 mtm -61.53 -54.35 44.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.731 HD21 HD12 ' B' ' 593' ' ' LEU . 8.7 tt -51.25 -60.93 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.33 -31.97 67.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -64.79 -46.59 81.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.906 0.384 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.48 -31.39 57.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.459 HD13 ' HG ' ' B' ' 562' ' ' LEU . 0.3 OUTLIER -75.59 -26.92 58.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.529 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.39 -58.17 9.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.76 -41.28 4.42 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.597 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.6 OUTLIER -51.49 -37.17 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.773 HD12 ' HB ' ' B' ' 582' ' ' THR . 95.2 mt -75.47 -33.83 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -57.28 -21.09 32.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.98 -35.26 45.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.753 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.2 OUTLIER -115.18 -35.06 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.789 ' CE1' HG21 ' B' ' 611' ' ' VAL . 6.1 m80 -130.27 76.05 78.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.561 0.696 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -7.14 20.29 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.716 2.278 . . . . 0.0 112.354 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.5 p -100.14 -51.21 3.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.452 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.96 12.9 18.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.23 -54.3 32.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.51 -50.7 35.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 580' ' ' LYS . . . . . 0.484 ' NZ ' HD22 ' B' ' 614' ' ' LEU . 14.7 mmtp -63.06 -48.08 80.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.663 HG22 HD22 ' B' ' 585' ' ' LEU . 15.7 mt -55.81 -60.29 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.773 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.6 t -56.9 -33.1 66.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 583' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 75' ' ' PRO . . . -61.44 -60.7 7.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.617 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 41.8 mtm -63.08 -43.39 98.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.663 HD22 HG22 ' B' ' 581' ' ' ILE . 6.5 mp -61.59 -29.15 69.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.619 HD21 ' HB2' ' B' ' 559' ' ' LYS . 7.3 tt -81.38 -20.78 39.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' B' ' 588' ' ' ILE . 0.9 OUTLIER -77.46 -56.93 4.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.03 -62.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 175.33 113.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.648 ' HB3' HD13 ' B' ' 562' ' ' LEU . 88.3 m-20 -52.99 -45.38 67.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.91 -45.32 60.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -60.28 -39.24 86.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.731 HD12 HD21 ' B' ' 562' ' ' LEU . 3.1 mt -64.67 -37.93 89.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 10.7 mt -64.86 -14.81 60.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -109.81 -18.16 13.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 28.4 mtm -91.68 -34.26 14.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.827 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -65.03 -12.09 46.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.827 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.1 pt-20 -94.25 30.76 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 30.2 t -165.68 141.57 4.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.66 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.06 -19.43 52.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 21.2 m -91.96 -53.66 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.469 HD13 ' C ' ' B' ' 603' ' ' LEU . 2.9 tm? -56.82 -59.21 5.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -55.14 -42.71 73.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.4 t -55.13 -52.35 63.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.459 ' HB3' HD21 ' B' ' 585' ' ' LEU . 30.8 mmmt -58.73 -57.63 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.753 HG11 ' HG3' ' B' ' 573' ' ' MET . 86.6 t -50.46 -53.91 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -56.17 -47.97 77.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 609' ' ' GLU . . . . . 0.423 ' O ' HG23 ' B' ' 613' ' ' VAL . 4.1 tp10 -57.56 -54.36 47.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.617 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.28 -60.15 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.789 HG21 ' CE1' ' B' ' 574' ' ' HIS . 38.5 t -51.05 -41.25 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.79 -41.1 94.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.686 HG21 ' HG ' ' A' ' 69' ' ' LEU . 97.4 t -64.78 -43.42 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.484 HD22 ' NZ ' ' B' ' 580' ' ' LYS . 31.9 mt -55.15 -41.84 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.876 0.369 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.696 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.2 pp -112.7 -176.61 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.487 ' ND2' ' HB2' ' A' ' 73' ' ' ALA . 31.2 p-10 -99.81 134.58 42.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.599 HG23 HD23 ' B' ' 614' ' ' LEU . 14.6 p -88.36 -19.44 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.2 -19.52 63.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.487 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . . . -51.51 117.46 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 155.81 2.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.554 0.692 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.525 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.4 Cg_endo -69.76 -90.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.304 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -172.57 -170.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.548 HG13 ' CG ' ' B' ' 560' ' ' GLN . 2.9 p -109.65 83.9 2.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.624 2.216 . . . . 0.0 112.39 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.518 HD22 HD11 ' B' ' 594' ' ' LEU . 5.4 mp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.5 81.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 5.0 p -96.0 27.16 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -127.38 160.96 57.44 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.634 0.73 . . . . 0.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.1 Cg_endo -69.77 168.02 22.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -8.63 24.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -96.55 -43.94 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -61.46 -25.37 67.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 558' ' ' GLN . . . . . 0.426 ' CD ' HD23 ' B' ' 550' ' ' LEU . 6.5 mt-30 -55.48 -71.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.498 ' HE2' HG12 ' A' ' 77' ' ' VAL . 14.9 ptmt -51.86 -32.84 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 560' ' ' GLN . . . . . 0.548 ' CG ' HG13 ' A' ' 77' ' ' VAL . 55.4 mt-30 -64.15 -69.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.9 mtm -56.16 -54.93 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.701 HD21 HD12 ' B' ' 593' ' ' LEU . 9.2 tt -51.59 -60.05 3.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.65 -43.34 86.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.492 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -56.51 -49.09 75.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.934 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -25.59 61.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.5 -27.25 58.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.519 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.16 -58.32 9.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.3 Cg_endo -69.74 -36.97 9.87 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.535 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.9 OUTLIER -52.13 -44.5 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.465 HG21 ' HB ' ' B' ' 581' ' ' ILE . 12.0 mt -75.49 -33.36 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -58.64 -19.53 39.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.22 -24.07 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.639 ' CE ' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -128.29 -38.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.701 ' CD2' HG21 ' B' ' 611' ' ' VAL . 58.9 m80 -125.98 73.7 71.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.02 19.99 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.519 ' OG1' HD22 ' B' ' 577' ' ' LEU . 11.6 p -93.86 -54.56 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.519 HD22 ' OG1' ' B' ' 576' ' ' THR . 2.5 mm? -92.84 19.15 7.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -53.36 -52.42 59.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.01 -51.15 47.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.57 -47.03 85.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.587 HG22 HD22 ' B' ' 585' ' ' LEU . 22.1 mt -57.14 -60.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.418 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.3 t -55.47 -33.92 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.12 -60.36 8.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.608 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 39.3 mtm -63.67 -42.16 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.838 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.587 HD22 HG22 ' B' ' 581' ' ' ILE . 7.5 mp -63.05 -27.24 69.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.526 ' HA ' HD11 ' B' ' 593' ' ' LEU . 2.2 tt -83.64 -20.39 33.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' B' ' 588' ' ' ILE . 15.5 tp10 -77.71 -54.56 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.459 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.36 -61.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.39 107.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.655 ' HB3' HD13 ' B' ' 562' ' ' LEU . 84.0 m-20 -51.83 -44.74 63.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -43.31 61.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -62.92 -37.5 87.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.701 HD12 HD21 ' B' ' 562' ' ' LEU . 2.2 mt -68.19 -35.67 78.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.518 HD11 HD22 ' B' ' 550' ' ' LEU . 12.7 mt -61.62 -16.46 48.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -118.22 -13.09 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 16.0 ttp -87.55 -22.0 25.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.73 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -71.08 -6.23 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.543 ' N ' HD13 ' B' ' 597' ' ' LEU . 25.1 mt-10 -93.69 -10.55 34.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.78 125.69 33.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.688 0.756 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.43 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.69 -18.16 64.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 68.8 m -83.81 -51.84 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.639 HD11 ' CE ' ' B' ' 573' ' ' MET . 8.1 tp -50.97 -62.74 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -44.29 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 12.7 t -57.01 -53.32 59.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -52.94 -54.42 35.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.493 HG21 ' CE ' ' B' ' 573' ' ' MET . 97.4 t -55.14 -50.33 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.23 -52.35 63.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.3 -53.85 48.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.608 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -50.8 -60.37 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.701 HG21 ' CD2' ' B' ' 574' ' ' HIS . 61.9 t -49.71 -42.18 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.58 91.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.696 HG21 ' HG ' ' A' ' 69' ' ' LEU . 97.9 t -63.83 -44.76 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.599 HD23 HG23 ' A' ' 71' ' ' VAL . 39.6 mt -55.56 -34.6 64.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.689 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.1 pp -125.36 -175.38 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.457 ' ND2' ' HB2' ' A' ' 73' ' ' ALA . 7.4 p-10 -108.41 138.87 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.554 ' HB ' HG12 ' B' ' 613' ' ' VAL . 9.4 p -88.5 -10.21 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -79.09 -2.86 42.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.457 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . . . -68.3 122.46 18.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -52.18 154.79 3.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -89.84 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.313 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.488 ' HB3' HD22 ' B' ' 586' ' ' LEU . 8.3 p90 -172.44 -170.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.665 HG23 ' HG3' ' B' ' 560' ' ' GLN . 5.2 m -109.86 83.33 2.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.459 ' HG ' HD11 ' B' ' 594' ' ' LEU . 2.3 mm? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.65 93.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 19.7 m -94.14 40.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -146.18 160.44 42.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.707 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.3 Cg_endo -69.83 168.22 22.29 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -8.19 22.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -97.76 -41.4 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -68.77 -23.41 64.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -51.98 -70.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.649 ' HB2' HD11 ' B' ' 586' ' ' LEU . 0.7 OUTLIER -57.16 -30.7 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 560' ' ' GLN . . . . . 0.665 ' HG3' HG23 ' A' ' 77' ' ' VAL . 19.2 mt-30 -62.13 -63.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 33.5 mtm -66.91 -56.85 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.777 HD21 HD12 ' B' ' 593' ' ' LEU . 9.7 tt -52.11 -54.19 33.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.97 -49.74 75.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.49 -39.1 75.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -30.69 60.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.04 -25.69 55.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.528 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.77 -57.96 10.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.707 . . . . 0.0 110.838 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.74 -42.4 3.46 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.629 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.8 OUTLIER -51.56 -36.57 45.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.696 HD12 ' HB ' ' B' ' 582' ' ' THR . 97.9 mt -76.45 -32.19 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 571' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' B' ' 567' ' ' PHE . 88.5 mt-30 -58.8 -19.62 42.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -55.58 -24.19 31.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.61 ' CE ' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -127.99 -42.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.601 ' CD2' HG21 ' B' ' 611' ' ' VAL . 37.7 m80 -123.16 75.05 50.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.71 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.64 19.1 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.547 ' OG1' HD22 ' B' ' 577' ' ' LEU . 11.2 p -96.4 -53.42 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.547 HD22 ' OG1' ' B' ' 576' ' ' THR . 2.5 mm? -91.28 16.62 9.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.94 -37.16 60.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -66.73 -53.13 29.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 580' ' ' LYS . . . . . 0.584 ' HD3' HD13 ' B' ' 614' ' ' LEU . 20.8 mtpt -63.1 -43.21 99.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.48 HG22 HD13 ' B' ' 570' ' ' ILE . 26.8 mt -59.07 -60.22 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.696 ' HB ' HD12 ' B' ' 570' ' ' ILE . 6.2 t -56.74 -32.86 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.44 -59.92 8.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.652 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 39.2 mtm -62.45 -43.87 97.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.522 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.5 mp -61.33 -30.6 70.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' B' ' 559' ' ' LYS . 6.0 tt -80.91 -19.83 43.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.3 tm-20 -77.54 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.4 OUTLIER -34.37 -62.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.66 112.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.725 ' HB3' HD13 ' B' ' 562' ' ' LEU . 76.1 m-20 -52.54 -48.15 66.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.07 -41.89 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -62.24 -37.16 84.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.777 HD12 HD21 ' B' ' 562' ' ' LEU . 1.8 mt -67.81 -39.99 83.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.459 HD11 ' HG ' ' B' ' 550' ' ' LEU . 12.3 mt -56.73 -21.37 27.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.37 -23.41 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 596' ' ' MET . . . . . 0.446 ' HE3' ' HG3' ' B' ' 606' ' ' LYS . 0.0 OUTLIER -73.85 -47.14 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.881 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -63.17 -14.26 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.881 ' N ' HD13 ' B' ' 597' ' ' LEU . 70.5 mt-10 -67.79 -16.88 64.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.03 144.67 45.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.672 0.748 . . . . 0.0 110.817 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.64 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.95 -18.03 62.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.3 m -86.24 -55.13 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.61 HD11 ' CE ' ' B' ' 573' ' ' MET . 6.0 tp -52.31 -62.48 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -52.39 -42.74 64.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 13.0 t -56.25 -51.99 66.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.446 ' HG3' ' HE3' ' B' ' 596' ' ' MET . 28.9 mmmt -55.81 -54.43 44.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.547 HG21 ' CE ' ' B' ' 573' ' ' MET . 91.6 t -51.4 -48.59 33.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.91 -53.77 52.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -53.47 -53.18 55.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.652 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -50.8 -60.22 3.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.601 HG21 ' CD2' ' B' ' 574' ' ' HIS . 83.0 t -49.87 -42.15 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.3 91.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.689 HG21 ' HG ' ' A' ' 69' ' ' LEU . 70.1 t -65.69 -39.42 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.584 HD13 ' HD3' ' B' ' 580' ' ' LYS . 13.8 mt -51.45 -30.02 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.41 ' CD ' HG22 ' B' ' 613' ' ' VAL . 6.4 tp60 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.694 ' HG ' HG21 ' B' ' 613' ' ' VAL . 4.0 pp -111.74 -175.03 2.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -109.92 137.24 47.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.444 ' HB ' HG12 ' B' ' 613' ' ' VAL . 11.1 p -84.34 -10.68 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -69.89 -11.29 60.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.16 122.51 14.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -51.24 157.19 1.65 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.711 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -89.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.359 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.701 ' HB3' HD22 ' B' ' 586' ' ' LEU . 7.8 p90 -172.28 -169.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.2 t -109.96 82.88 2.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.35 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.668 HD22 HD11 ' B' ' 594' ' ' LEU . 5.3 mp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.784 0.326 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.2 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 29.1 m -96.82 25.7 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -121.94 160.44 47.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.103 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.8 Cg_endo -69.75 167.67 23.75 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.746 2.297 . . . . 0.0 112.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -8.79 24.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.372 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -95.27 -45.99 6.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 557' ' ' GLU . . . . . 0.404 ' O ' ' HE2' ' B' ' 561' ' ' MET . 48.3 mt-10 -61.79 -23.29 66.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 558' ' ' GLN . . . . . 0.454 ' CD ' HD23 ' B' ' 550' ' ' LEU . 5.7 mt-30 -55.36 -70.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.413 ' HB2' HD11 ' B' ' 586' ' ' LEU . 21.4 pttt -54.24 -32.52 56.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -63.86 -66.64 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 561' ' ' MET . . . . . 0.404 ' HE2' ' O ' ' B' ' 557' ' ' GLU . 45.3 mtm -60.66 -59.92 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.67 HD23 HD13 ' B' ' 566' ' ' LEU . 6.2 tt -52.38 -54.49 31.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.52 -55.99 27.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -53.6 -37.97 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 -74.81 -30.18 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.67 HD13 HD23 ' B' ' 562' ' ' LEU . 1.4 mp -76.14 -25.52 55.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.79 -57.73 11.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 0.0 110.884 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.79 -40.78 4.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.732 2.288 . . . . 0.0 112.324 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.625 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.9 OUTLIER -52.89 -38.06 61.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.592 HD13 HG22 ' B' ' 581' ' ' ILE . 76.4 mt -75.36 -33.5 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 571' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' B' ' 575' ' ' PRO . 31.2 mt-30 -58.62 -19.94 43.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.83 -27.42 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.716 ' HE3' HG21 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -124.25 -39.27 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.722 ' CE1' HG21 ' B' ' 611' ' ' VAL . 6.4 m80 -125.27 73.52 67.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.696 . . . . 0.0 110.828 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 575' ' ' PRO . . . . . 0.404 ' HA ' ' HG2' ' B' ' 571' ' ' GLN . 54.1 Cg_endo -69.79 -7.22 20.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.2 p -98.68 -42.32 7.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.453 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -101.14 10.13 41.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -50.51 -31.36 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.77 -73.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -43.29 50.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.681 HD11 HG22 ' B' ' 611' ' ' VAL . 54.4 mt -54.08 -60.85 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -30.64 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.198 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.11 -60.26 8.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.618 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 33.1 mtm -64.86 -45.92 84.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.458 ' O ' HD11 ' B' ' 593' ' ' LEU . 9.7 mp -56.72 -31.76 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 76' ' ' PHE . 4.3 tt -83.33 -18.75 37.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' B' ' 588' ' ' ILE . 46.3 mm-40 -76.99 -56.24 4.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.6 OUTLIER -32.76 -61.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.87 108.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -51.49 -45.57 62.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -42.22 62.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.82 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.51 -35.53 80.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.54 HD11 ' HA ' ' B' ' 586' ' ' LEU . 2.0 mt -70.3 -35.41 73.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.668 HD11 HD22 ' B' ' 550' ' ' LEU . 16.9 mt -61.06 -16.96 49.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.42 -14.55 9.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 21.8 ttp -85.31 -22.39 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.737 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.27 -7.15 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.526 ' N ' HD13 ' B' ' 597' ' ' LEU . 17.9 mt-10 -93.03 -13.35 28.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.03 125.16 33.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.44 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -61.08 -23.85 65.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 14.3 m -83.22 -53.41 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.528 HD11 ' HE3' ' B' ' 573' ' ' MET . 2.5 tm? -51.33 -56.44 13.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -59.57 -36.88 77.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.7 t -63.96 -47.84 78.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.03 -58.71 7.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.716 HG21 ' HE3' ' B' ' 573' ' ' MET . 97.8 t -51.54 -51.38 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.87 -52.76 63.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 609' ' ' GLU . . . . . 0.411 ' O ' HG23 ' B' ' 613' ' ' VAL . 17.3 tp10 -54.18 -52.37 61.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.618 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.58 -59.85 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.722 HG21 ' CE1' ' B' ' 574' ' ' HIS . 39.4 t -50.78 -45.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -55.64 -43.31 76.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.694 HG21 ' HG ' ' A' ' 69' ' ' LEU . 95.8 t -63.11 -42.02 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 10.2 mt -51.23 -30.84 18.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.593 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -125.3 -176.49 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -102.38 138.12 39.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.571 HG23 ' CD2' ' B' ' 614' ' ' LEU . 6.8 p -88.33 -22.18 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -71.0 -15.84 62.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.64 117.92 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 160.24 1.04 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.42 ' HA ' ' HA3' ' B' ' 583' ' ' GLY . 53.9 Cg_endo -69.78 -90.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -172.69 -178.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 77' ' ' VAL . 2.6 p -109.09 87.29 4.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.456 HD22 HD11 ' B' ' 594' ' ' LEU . 5.3 mp . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.809 0.338 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.79 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 15.4 t -95.4 23.09 6.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.596 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -122.89 160.59 48.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.681 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.596 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.79 167.54 24.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.76 24.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -92.01 -53.78 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -56.37 -25.19 48.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 558' ' ' GLN . . . . . 0.444 ' OE1' HD23 ' B' ' 550' ' ' LEU . 3.9 mt-30 -51.82 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.441 ' HB2' HD11 ' B' ' 586' ' ' LEU . 9.0 ptpp? -51.39 -30.26 18.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -63.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 42.3 mtm -65.58 -55.52 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.706 HD13 ' OD1' ' B' ' 590' ' ' ASN . 4.6 tt -52.25 -54.62 28.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.04 -57.77 18.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -52.27 -38.82 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.359 . . . . 0.0 110.92 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -73.51 -30.85 63.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.664 HD13 HD23 ' B' ' 562' ' ' LEU . 1.4 mp -75.68 -24.52 56.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.514 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.0 -58.88 8.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.734 . . . . 0.0 110.849 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.73 -40.7 5.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.547 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.5 OUTLIER -51.66 -40.8 60.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.459 HG21 ' HB ' ' B' ' 581' ' ' ILE . 10.8 mt -75.73 -34.09 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 571' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' B' ' 575' ' ' PRO . 31.7 mt-30 -56.61 -20.51 21.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.49 -29.57 36.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.48 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -124.23 -37.91 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.725 ' CE1' HG11 ' B' ' 611' ' ' VAL . 53.9 m-70 -124.08 75.07 58.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 575' ' ' PRO . . . . . 0.401 ' HA ' ' HG2' ' B' ' 571' ' ' GLN . 53.5 Cg_endo -69.83 -7.1 20.21 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.22 -43.52 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.45 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -96.8 18.57 14.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.2 -55.84 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -51.69 -50.33 43.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.437 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 580' ' ' LYS . . . . . 0.6 ' HB3' HD11 ' B' ' 614' ' ' LEU . 6.1 mmtm -62.05 -48.44 80.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.641 HD11 HG22 ' B' ' 611' ' ' VAL . 25.3 mt -57.98 -61.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 7.7 t -53.42 -34.27 57.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 583' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 75' ' ' PRO . . . -62.02 -59.72 9.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.665 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 43.5 mtm -65.14 -42.57 93.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.549 HD22 HG22 ' B' ' 581' ' ' ILE . 9.8 mp -61.21 -30.08 70.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.598 ' HA ' HD11 ' B' ' 593' ' ' LEU . 5.2 tt -82.71 -19.23 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' B' ' 588' ' ' ILE . 8.0 tp10 -77.21 -56.4 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.6 OUTLIER -33.59 -62.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.62 110.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.706 ' OD1' HD13 ' B' ' 562' ' ' LEU . 37.1 m-20 -51.95 -42.69 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.14 -39.49 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -67.42 -33.45 75.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.598 HD11 ' HA ' ' B' ' 586' ' ' LEU . 3.1 mt -70.99 -36.97 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.456 HD11 HD22 ' B' ' 550' ' ' LEU . 12.4 mt -63.87 -15.89 60.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -114.64 -16.36 11.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 596' ' ' MET . . . . . 0.455 ' HE3' ' HA ' ' B' ' 593' ' ' LEU . 4.9 tmm? -91.64 -31.85 15.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.833 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -65.04 -12.17 47.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.833 ' N ' HD13 ' B' ' 597' ' ' LEU . 1.2 pt-20 -94.95 31.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 16.9 t -152.16 134.51 8.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.711 0.767 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.624 2.216 . . . . 0.0 112.366 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.28 -24.77 66.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -43.75 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.466 HD13 ' C ' ' B' ' 603' ' ' LEU . 2.8 tm? -61.53 -56.92 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -35.21 73.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 11.6 t -62.22 -52.63 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -60.02 -58.1 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.555 ' O ' HG23 ' B' ' 611' ' ' VAL . 78.5 t -51.51 -52.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.71 -48.51 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -56.54 -54.34 46.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.665 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.03 -60.12 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.725 HG11 ' CE1' ' B' ' 574' ' ' HIS . 38.3 t -51.34 -39.45 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.41 99.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.593 HG21 ' HG ' ' A' ' 69' ' ' LEU . 88.1 t -64.68 -39.71 86.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' B' ' 580' ' ' LYS . 36.8 mt -52.84 -30.32 32.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.86 0.362 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.655 ' CD1' HG21 ' B' ' 613' ' ' VAL . 2.5 pp -121.9 169.88 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -87.33 137.34 32.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.8 p -92.6 -22.22 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -70.03 -10.95 60.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.6 118.72 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -51.87 137.81 34.65 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.538 0.685 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.701 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.8 Cg_endo -69.73 -89.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -171.61 -173.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.794 HG23 ' HG2' ' B' ' 560' ' ' GLN . 5.0 m -109.48 85.35 3.61 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.644 HD22 ' HA ' ' B' ' 558' ' ' GLN . 5.1 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.37 -52.51 63.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 18.5 t -95.8 33.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -132.9 160.34 68.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 111.082 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.81 167.85 23.31 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.388 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -96.86 -42.9 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 557' ' ' GLU . . . . . 0.433 ' HB3' ' HE2' ' B' ' 561' ' ' MET . 40.8 mt-10 -64.19 -22.53 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 558' ' ' GLN . . . . . 0.644 ' HA ' HD22 ' B' ' 550' ' ' LEU . 6.3 mt-30 -54.58 -64.16 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.632 ' HB2' HD21 ' B' ' 586' ' ' LEU . 18.5 ptpt -59.04 -33.98 71.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 560' ' ' GLN . . . . . 0.794 ' HG2' HG23 ' A' ' 77' ' ' VAL . 23.4 mt-30 -63.11 -65.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 561' ' ' MET . . . . . 0.433 ' HE2' ' HB3' ' B' ' 557' ' ' GLU . 54.7 mtm -58.63 -57.58 12.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.7 HD21 HD12 ' B' ' 593' ' ' LEU . 9.2 tt -50.45 -60.67 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.17 -39.74 81.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.52 -47.64 83.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -75.03 -26.15 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -26.72 57.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.19 -58.19 10.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.881 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.75 -40.17 5.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.764 2.309 . . . . 0.0 112.324 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.566 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -53.87 -37.18 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.615 HD13 HG22 ' B' ' 581' ' ' ILE . 94.7 mt -75.41 -34.39 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -58.06 -20.41 39.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.67 -30.27 21.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.758 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -122.64 -37.4 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.763 ' CE1' HG21 ' B' ' 611' ' ' VAL . 3.4 m80 -125.89 73.84 70.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.723 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -7.81 22.01 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.65 2.234 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.4 p -95.15 -56.68 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.452 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.61 11.76 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 578' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.02 -33.78 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.91 -72.46 0.66 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 580' ' ' LYS . . . . . 0.456 ' HG2' HD22 ' B' ' 614' ' ' LEU . 1.0 OUTLIER -49.36 -41.12 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 110.932 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.615 HG22 HD13 ' B' ' 570' ' ' ILE . 51.2 mt -55.01 -60.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -30.41 66.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.17 -60.16 7.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.75 ' HE1' ' HB1' ' B' ' 610' ' ' ALA . 34.2 mtm -62.68 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.512 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.6 mp -61.75 -30.63 70.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 75' ' ' PRO . 8.3 tt -81.4 -19.68 42.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -77.34 -57.59 3.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.4 OUTLIER -33.92 -62.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.86 112.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.639 ' HB3' HD13 ' B' ' 562' ' ' LEU . 74.6 m-20 -51.71 -48.82 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -41.67 59.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.6 -34.75 77.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.7 HD12 HD21 ' B' ' 562' ' ' LEU . 1.9 mt -70.74 -38.89 73.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 27.3 mt -60.86 -18.14 54.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -108.87 -24.56 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 11.6 mtm -77.47 -42.23 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.869 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -62.35 -14.84 44.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.869 ' N ' HD13 ' B' ' 597' ' ' LEU . 57.1 mt-10 -69.35 -25.77 64.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.35 147.58 50.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.747 . . . . 0.0 110.83 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -44.2 2.2 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.701 2.268 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -56.9 -23.63 46.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.5 m -90.31 -53.86 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.471 HD13 ' C ' ' B' ' 603' ' ' LEU . 2.6 tm? -56.02 -61.39 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -52.57 -46.41 66.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.6 t -52.07 -51.72 55.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -57.67 -56.65 19.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.758 HG11 ' HG3' ' B' ' 573' ' ' MET . 88.5 t -50.37 -52.1 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -57.2 -55.29 36.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -52.33 -53.01 49.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.75 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -51.01 -60.27 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.763 HG21 ' CE1' ' B' ' 574' ' ' HIS . 42.3 t -50.21 -39.62 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.33 98.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.655 HG21 ' CD1' ' A' ' 69' ' ' LEU . 76.5 t -63.97 -42.2 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.656 HD21 ' CE ' ' B' ' 584' ' ' MET . 7.6 mt -51.12 -31.48 19.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.838 0.351 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.691 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -129.88 -176.2 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.633 ' OD1' ' HB2' ' A' ' 73' ' ' ALA . 29.8 p-10 -100.61 135.74 41.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.528 ' HB ' HG12 ' B' ' 613' ' ' VAL . 13.2 p -83.62 -25.07 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -78.25 -3.96 45.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.633 ' HB2' ' OD1' ' A' ' 70' ' ' ASN . . . -52.48 130.56 32.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -49.92 138.72 18.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.478 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.6 Cg_endo -69.84 -89.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.555 ' HB3' HD13 ' B' ' 586' ' ' LEU . 11.1 p90 -172.02 -169.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.612 HG23 ' CE ' ' B' ' 559' ' ' LYS . 97.7 t -109.89 82.92 2.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.6 0.714 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.237 . . . . 0.0 112.321 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' B' ' 558' ' ' GLN . 6.3 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.38 60.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 1.2 t -95.19 39.32 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -141.44 160.37 57.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.718 . . . . 0.0 111.083 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.8 Cg_endo -69.8 168.02 22.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.636 2.224 . . . . 0.0 112.348 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -8.77 24.45 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -96.63 -42.71 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.89 -22.49 66.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 558' ' ' GLN . . . . . 0.474 ' HA ' HD22 ' B' ' 550' ' ' LEU . 4.2 mt-30 -54.37 -72.25 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.612 ' CE ' HG23 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -53.85 -30.74 46.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -64.58 -67.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 50.8 mtm -57.72 -53.42 58.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.67 HD21 HD12 ' B' ' 593' ' ' LEU . 10.1 tt -52.64 -60.14 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.54 -47.03 79.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.41 -48.32 68.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -71.29 -27.23 63.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.5 -24.8 56.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.508 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.47 -58.94 7.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.908 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.78 -38.48 7.69 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.557 ' O ' HD13 ' B' ' 569' ' ' LEU . 1.0 OUTLIER -51.44 -43.07 61.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.484 HD12 ' HB ' ' B' ' 582' ' ' THR . 19.7 mt -75.83 -34.05 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 571' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' B' ' 575' ' ' PRO . 65.3 mt-30 -57.39 -19.85 25.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.0 -27.05 17.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.486 ' HE3' HG21 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -127.87 -42.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.647 ' CD2' HG21 ' B' ' 611' ' ' VAL . 56.3 m80 -119.37 74.22 15.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 575' ' ' PRO . . . . . 0.4 ' HA ' ' HG2' ' B' ' 571' ' ' GLN . 53.7 Cg_endo -69.8 -7.29 20.69 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 3.2 p -95.01 -53.31 3.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.462 ' HG ' HD12 ' B' ' 614' ' ' LEU . 2.7 mm? -92.49 19.27 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.47 -45.11 73.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -60.46 -50.82 63.38 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 580' ' ' LYS . . . . . 0.565 ' HD3' HD22 ' B' ' 614' ' ' LEU . 23.8 mttp -62.85 -44.26 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.716 0.293 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.531 HG22 HD22 ' B' ' 585' ' ' LEU . 25.0 mt -58.99 -60.94 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.484 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.2 t -55.28 -34.02 63.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.49 -59.86 9.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.674 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 42.7 mtm -61.89 -45.81 92.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.54 ' O ' HD21 ' B' ' 593' ' ' LEU . 6.9 mp -60.12 -29.4 68.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.576 ' HA ' HD11 ' B' ' 593' ' ' LEU . 8.8 tt -81.22 -20.26 41.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -77.58 -57.22 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -34.05 -62.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.27 113.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.556 ' HB3' HD13 ' B' ' 562' ' ' LEU . 77.6 m-20 -52.72 -45.46 66.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.4 t -50.91 -44.95 60.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -60.62 -38.7 85.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.67 HD12 HD21 ' B' ' 562' ' ' LEU . 2.7 mt -65.61 -37.42 86.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.31 -15.26 59.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -110.45 -18.36 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 29.5 mtm -90.79 -34.03 15.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.819 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -65.01 -12.01 45.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.972 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.819 ' N ' HD13 ' B' ' 597' ' ' LEU . 0.2 OUTLIER -94.17 30.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.64 141.63 6.88 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.686 0.755 . . . . 0.0 110.859 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.16 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.347 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.3 -21.57 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.3 m -85.72 -56.31 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.418 ' O ' HG23 ' B' ' 607' ' ' VAL . 13.0 tp -54.94 -54.41 43.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -57.57 -45.34 85.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.3 t -55.55 -55.28 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.44 ' HB3' HD21 ' B' ' 585' ' ' LEU . 31.1 mmmt -55.33 -59.1 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.558 ' O ' HG23 ' B' ' 611' ' ' VAL . 99.6 t -50.51 -52.36 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -56.29 -56.94 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -51.74 -53.72 36.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.674 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -50.27 -60.09 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.647 HG21 ' CD2' ' B' ' 574' ' ' HIS . 62.7 t -50.53 -38.86 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.13 99.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.691 HG21 ' HG ' ' A' ' 69' ' ' LEU . 72.2 t -63.1 -41.93 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.565 HD22 ' HD3' ' B' ' 580' ' ' LYS . 16.1 mt -50.97 -31.07 16.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.829 0.347 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.677 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.6 pp -132.56 -175.89 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -110.0 138.52 46.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.496 ' HB ' HG12 ' B' ' 613' ' ' VAL . 9.6 p -88.22 -7.6 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -76.36 -12.42 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.468 ' HB1' ' HG3' ' B' ' 587' ' ' GLU . . . -61.17 117.13 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -51.51 156.86 1.98 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.663 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.8 Cg_endo -69.74 -90.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -172.52 -168.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.5 m -109.98 82.32 2.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.645 HD22 HD11 ' B' ' 594' ' ' LEU . 10.1 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.89 -49.03 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 4.5 m -101.96 29.34 5.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -124.52 160.43 53.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.71 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.0 Cg_endo -69.78 167.72 23.65 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.642 2.228 . . . . 0.0 112.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -10.18 27.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -94.72 -44.42 7.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -61.22 -24.77 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -55.38 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.51 ' HB2' HD11 ' B' ' 586' ' ' LEU . 15.0 ptpt -53.58 -34.63 59.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -63.47 -66.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.1 mtm -58.27 -58.15 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' B' ' 590' ' ' ASN . 10.2 tt -52.38 -60.01 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.22 -47.95 60.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -54.19 -44.78 71.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 7.3 mmt-85 -73.97 -26.63 60.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.62 -26.67 57.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.51 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -48.92 -58.66 7.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.66 -39.71 6.37 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.734 2.29 . . . . 0.0 112.351 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.492 HD13 ' C ' ' B' ' 569' ' ' LEU . 3.5 tm? -51.72 -40.36 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 22.0 mt -75.27 -33.32 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -58.36 -20.18 41.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.32 -31.33 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.612 ' HE3' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -120.61 -26.67 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.588 ' NE2' HG21 ' B' ' 611' ' ' VAL . 4.8 m80 -137.47 72.65 50.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.39 20.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.3 p -95.91 -57.42 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.454 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.43 12.58 18.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 578' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.31 -32.34 10.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.84 -74.69 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.3 -42.36 30.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.57 HD11 HG22 ' B' ' 611' ' ' VAL . 60.4 mt -55.0 -60.01 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -31.84 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.24 -58.95 9.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.681 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 32.6 mtm -64.82 -42.12 95.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.5 ' O ' HD11 ' B' ' 593' ' ' LEU . 9.6 mp -61.24 -30.44 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 75' ' ' PRO . 2.3 tt -83.11 -18.95 37.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.468 ' HG3' ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -76.99 -55.86 5.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.0 -61.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 174.78 104.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.606 ' HB3' HD13 ' B' ' 562' ' ' LEU . 70.9 m-20 -51.62 -42.58 62.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -37.2 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.86 -32.57 71.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' B' ' 586' ' ' LEU . 2.5 mt -72.99 -33.96 66.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.645 HD11 HD22 ' B' ' 550' ' ' LEU . 12.1 mt -62.83 -16.77 59.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -118.7 -16.0 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 5.6 tmm? -88.82 -18.67 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.737 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.73 -7.19 37.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.549 ' N ' HD13 ' B' ' 597' ' ' LEU . 16.7 mt-10 -93.04 -13.42 28.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.83 125.34 42.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.868 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -48.09 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 0.0 112.345 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -67.35 -18.86 65.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 70.0 m -83.66 -53.59 5.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.612 HD11 ' HE3' ' B' ' 573' ' ' MET . 7.5 tp -51.17 -62.22 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -53.94 -40.41 66.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 16.9 t -60.05 -53.04 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -54.81 -56.33 20.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.591 HG11 ' HG3' ' B' ' 573' ' ' MET . 94.5 t -51.79 -44.44 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.15 -56.99 15.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 609' ' ' GLU . . . . . 0.442 ' O ' HG23 ' B' ' 613' ' ' VAL . 1.6 mp0 -51.8 -50.1 61.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.681 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -52.86 -59.68 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.588 HG21 ' NE2' ' B' ' 574' ' ' HIS . 97.6 t -49.97 -41.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.4 96.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.677 HG21 ' HG ' ' A' ' 69' ' ' LEU . 96.0 t -65.58 -37.42 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.585 HD21 ' CE ' ' B' ' 584' ' ' MET . 18.6 mt -50.79 -30.86 15.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.688 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -117.81 -176.07 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -102.36 137.01 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.554 ' HB ' HG12 ' B' ' 613' ' ' VAL . 7.9 p -90.8 -20.85 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -71.06 -12.98 61.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.578 ' HB1' ' OE1' ' B' ' 587' ' ' GLU . . . -56.1 121.82 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -51.65 161.02 0.92 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.555 0.693 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -88.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -172.1 -169.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.582 HG23 ' HD2' ' B' ' 559' ' ' LYS . 97.6 t -109.99 82.43 2.47 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.608 0.718 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 179.889 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.832 0.348 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.35 73.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.8 m -96.26 33.65 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -130.2 160.22 66.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 111.061 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.73 167.7 23.64 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -9.72 26.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -95.25 -43.32 8.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.37 -25.1 67.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.11 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.582 ' HD2' HG23 ' A' ' 77' ' ' VAL . 18.7 pttt -51.87 -30.84 25.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.6 -65.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 49.0 mtm -61.42 -57.46 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.635 HD21 HD12 ' B' ' 593' ' ' LEU . 9.6 tt -51.53 -58.41 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.01 -37.12 77.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.95 -41.02 95.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -76.53 -33.56 58.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.3 mp -75.97 -26.18 56.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -48.87 -57.96 9.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 0.0 110.842 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.3 Cg_endo -69.77 -42.44 3.39 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.73 2.286 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.58 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.5 OUTLIER -51.87 -35.38 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.759 HD12 ' HB ' ' B' ' 582' ' ' THR . 95.9 mt -75.72 -33.22 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.99 -20.21 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -54.09 -32.18 54.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.709 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.1 OUTLIER -118.96 -30.83 4.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.718 ' CE1' HG11 ' B' ' 611' ' ' VAL . 21.7 m-70 -135.16 75.47 59.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.89 22.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.2 p -99.81 -50.15 4.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.471 ' HG ' HG13 ' B' ' 611' ' ' VAL . 2.8 mm? -91.82 15.14 13.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.08 -55.23 29.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.63 -50.09 37.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 580' ' ' LYS . . . . . 0.52 ' HB2' HD11 ' B' ' 614' ' ' LEU . 31.7 mmmt -63.33 -47.72 81.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.624 HD11 HG22 ' B' ' 611' ' ' VAL . 24.2 mt -57.56 -61.09 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.759 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.7 t -54.09 -34.71 60.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.14 -59.86 9.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.68 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 39.9 mtm -65.1 -42.99 93.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.576 HD22 HG22 ' B' ' 581' ' ' ILE . 9.9 mp -61.85 -27.38 68.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.59 ' HA ' HD11 ' B' ' 593' ' ' LEU . 6.1 tt -83.3 -21.44 33.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.578 ' OE1' ' HB1' ' A' ' 73' ' ' ALA . 7.9 tt0 -77.12 -54.94 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.4 OUTLIER -33.69 -61.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.78 109.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.563 ' OD1' HD22 ' B' ' 562' ' ' LEU . 71.8 m-20 -52.12 -43.85 64.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.5 -39.34 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -65.61 -34.85 79.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.635 HD12 HD21 ' B' ' 562' ' ' LEU . 1.7 mt -71.09 -39.53 72.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.08 -16.74 47.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -116.48 -12.74 10.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -82.77 -29.39 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.719 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.63 -5.99 28.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.55 ' N ' HD13 ' B' ' 597' ' ' LEU . 21.8 mt-10 -83.88 2.39 38.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.5 t -140.65 132.46 14.13 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.67 0.748 . . . . 0.0 110.839 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.06 -21.72 59.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 50.1 m -86.25 -53.26 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.461 HD13 ' C ' ' B' ' 603' ' ' LEU . 2.4 tm? -52.62 -57.76 8.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -59.54 -35.75 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -51.57 69.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -62.95 -51.59 66.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.709 HG11 ' HG3' ' B' ' 573' ' ' MET . 94.1 t -52.28 -52.91 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.97 -51.6 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 609' ' ' GLU . . . . . 0.421 ' O ' HG23 ' B' ' 613' ' ' VAL . 15.2 mm-40 -55.42 -52.29 64.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.68 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.83 -59.92 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.718 HG11 ' CE1' ' B' ' 574' ' ' HIS . 40.7 t -50.83 -41.97 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.11 94.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.688 HG21 ' HG ' ' A' ' 69' ' ' LEU . 84.1 t -63.7 -39.26 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.52 HD11 ' HB2' ' B' ' 580' ' ' LYS . 45.8 mt -51.1 -35.44 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.798 0.332 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.692 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.5 pp -127.69 -176.34 3.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -103.53 135.54 44.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.562 ' HB ' HG12 ' B' ' 613' ' ' VAL . 10.7 p -87.06 -18.43 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -70.1 -20.41 63.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.56 123.98 11.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -52.02 160.43 1.18 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -89.02 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.361 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CB ' HD13 ' B' ' 586' ' ' LEU . 10.6 p90 -172.06 -168.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.515 HG23 ' CE ' ' B' ' 559' ' ' LYS . 84.3 t -94.54 107.91 33.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.655 0.74 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 77' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.835 0.35 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -109.3 -25.23 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 6.2 t -125.97 31.36 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -129.46 160.36 64.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 111.1 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.4 Cg_endo -69.79 169.28 19.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 556' ' ' GLN . . . . . 0.4 ' HG2' ' HB2' ' B' ' 554' ' ' PRO . 8.2 pt20 -95.27 -42.17 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.31 -16.86 63.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.51 -70.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.645 ' HB2' HD21 ' B' ' 586' ' ' LEU . 0.8 OUTLIER -55.31 -29.77 58.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.52 -65.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 57.3 mtm -60.09 -52.94 63.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.659 HD21 HD12 ' B' ' 593' ' ' LEU . 9.4 tt -51.42 -60.27 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.93 -31.62 72.8 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.432 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -67.21 -43.35 82.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -76.77 -33.87 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.82 -26.61 57.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -48.51 -58.0 9.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.672 0.749 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.76 -41.86 3.9 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.606 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.7 OUTLIER -51.41 -36.11 42.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.724 HD12 ' HB ' ' B' ' 582' ' ' THR . 96.4 mt -75.52 -33.78 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.1 -21.36 31.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.979 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -50.87 -31.86 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.761 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -120.29 -36.07 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.793 ' CE1' HG21 ' B' ' 611' ' ' VAL . 6.9 m80 -128.41 75.44 79.24 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -7.77 21.93 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.3 p -99.93 -50.08 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.458 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -91.11 13.05 18.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.62 -54.09 37.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.86 -50.14 39.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 580' ' ' LYS . . . . . 0.562 ' HB2' HD11 ' B' ' 614' ' ' LEU . 10.5 mmmm -63.48 -47.29 82.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.725 0.297 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.535 HG22 HD13 ' B' ' 570' ' ' ILE . 16.3 mt -56.91 -60.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.724 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.8 t -56.87 -34.12 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.97 -59.62 9.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.656 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 41.6 mtm -62.27 -46.37 89.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.826 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.558 HD21 ' HB3' ' B' ' 606' ' ' LYS . 7.6 mp -59.49 -29.34 67.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.645 HD21 ' HB2' ' B' ' 559' ' ' LYS . 8.7 tt -81.44 -20.88 39.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' B' ' 588' ' ' ILE . 4.2 tm-20 -77.86 -56.86 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -33.62 -62.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.14 113.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.527 ' HB3' HD13 ' B' ' 562' ' ' LEU . 99.4 m-20 -53.17 -46.16 68.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.11 -45.12 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -60.54 -40.43 91.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.659 HD12 HD21 ' B' ' 562' ' ' LEU . 3.2 mt -63.3 -37.96 89.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.39 -15.15 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -110.39 -17.25 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 29.4 mtm -91.84 -34.51 14.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.82 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -64.69 -12.51 47.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.82 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.5 pt-20 -94.16 30.76 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.31 137.79 9.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 110.91 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -48.96 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.747 2.298 . . . . 0.0 112.339 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -64.19 -15.82 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 71.2 m -90.42 -48.97 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.481 HD13 ' C ' ' B' ' 603' ' ' LEU . 3.2 tm? -53.49 -63.94 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -54.65 -43.86 72.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.5 t -53.16 -52.91 57.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 606' ' ' LYS . . . . . 0.558 ' HB3' HD21 ' B' ' 585' ' ' LEU . 30.8 mmmt -59.29 -57.58 12.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.761 HG11 ' HG3' ' B' ' 573' ' ' MET . 92.4 t -50.05 -53.24 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -56.3 -53.63 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 609' ' ' GLU . . . . . 0.424 ' O ' HG23 ' B' ' 613' ' ' VAL . 14.3 tt0 -52.39 -53.23 47.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.656 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -52.02 -60.28 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.793 HG21 ' CE1' ' B' ' 574' ' ' HIS . 38.0 t -50.78 -37.16 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.29 93.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.692 HG21 ' HG ' ' A' ' 69' ' ' LEU . 89.2 t -65.15 -41.31 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' B' ' 580' ' ' LYS . 35.9 mt -51.24 -31.09 19.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.685 ' HG ' HG21 ' B' ' 613' ' ' VAL . 4.2 pp -110.49 -174.74 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -111.07 135.69 51.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.52 ' HB ' HG12 ' B' ' 613' ' ' VAL . 10.8 p -81.7 -10.32 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -70.01 -19.26 63.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.83 125.87 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -51.04 157.24 1.49 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.592 0.71 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -89.56 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.572 ' HB3' HD22 ' B' ' 586' ' ' LEU . 7.0 p90 -172.43 -170.24 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.0 t -109.88 83.17 2.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.635 2.223 . . . . 0.0 112.388 179.908 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.661 HD21 ' HB2' ' B' ' 562' ' ' LEU . 8.5 mp . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.2 -48.93 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 26.6 m -105.34 32.67 4.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -124.3 160.42 52.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.584 0.707 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.76 167.71 23.65 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.742 2.295 . . . . 0.0 112.338 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.8 27.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -95.71 -41.99 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 557' ' ' GLU . . . . . 0.404 ' HG2' ' HE1' ' B' ' 561' ' ' MET . 1.1 tp10 -67.0 -19.73 65.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 558' ' ' GLN . . . . . 0.475 ' HB3' HD23 ' B' ' 550' ' ' LEU . 4.6 mt-30 -58.5 -66.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.422 ' HB2' HD11 ' B' ' 586' ' ' LEU . 16.7 ptpt -53.14 -31.06 40.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -64.39 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 561' ' ' MET . . . . . 0.404 ' HE1' ' HG2' ' B' ' 557' ' ' GLU . 45.8 mtm -61.7 -54.22 45.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.724 HD21 HD12 ' B' ' 593' ' ' LEU . 9.8 tt -53.57 -56.29 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.45 -44.7 96.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.66 -38.14 86.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -76.44 -32.84 58.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -25.66 55.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.534 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.63 -57.98 10.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.722 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.78 -45.26 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.543 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -51.61 -34.2 36.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.692 HD12 ' HB ' ' B' ' 582' ' ' THR . 88.4 mt -76.58 -31.88 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 571' ' ' GLN . . . . . 0.487 ' HG2' ' HB2' ' B' ' 578' ' ' ALA . 25.6 mt-30 -59.44 -19.53 48.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.75 -27.82 13.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.763 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -125.48 -37.03 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.609 ' CE1' HG21 ' B' ' 611' ' ' VAL . 22.7 m80 -128.34 75.56 78.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 110.828 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -7.81 22.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.712 2.274 . . . . 0.0 112.33 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.3 p -100.62 -46.15 5.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.464 HD23 ' HD2' ' B' ' 574' ' ' HIS . 2.8 mm? -92.93 15.27 15.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 578' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' B' ' 571' ' ' GLN . . . -54.08 -55.86 23.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.03 -50.91 31.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 580' ' ' LYS . . . . . 0.608 ' HD3' HD13 ' B' ' 614' ' ' LEU . 16.8 mttp -62.5 -49.14 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.519 HG22 HD22 ' B' ' 585' ' ' LEU . 23.7 mt -55.85 -60.26 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.692 ' HB ' HD12 ' B' ' 570' ' ' ILE . 9.3 t -56.63 -32.63 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.46 -60.4 8.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.66 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 36.4 mtm -63.37 -45.39 91.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.532 ' O ' HD11 ' B' ' 593' ' ' LEU . 7.7 mp -59.02 -31.46 68.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.572 HD22 ' HB3' ' A' ' 76' ' ' PHE . 6.5 tt -80.38 -19.86 45.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 20.3 tp10 -77.06 -58.4 3.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.51 -62.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.15 112.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.647 ' HB3' HD13 ' B' ' 562' ' ' LEU . 79.9 m-20 -52.54 -46.46 66.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -43.31 61.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -61.78 -37.87 85.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.724 HD12 HD21 ' B' ' 562' ' ' LEU . 3.0 mt -66.04 -40.51 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.74 -16.82 59.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -107.07 -20.33 13.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 22.7 mtm -84.77 -41.97 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.873 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -63.02 -14.24 45.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.873 ' N ' HD13 ' B' ' 597' ' ' LEU . 10.0 pt-20 -68.15 -16.42 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.02 144.12 46.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -48.74 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.312 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -58.14 -23.88 56.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 26.7 t -84.51 -49.63 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.476 HD13 ' N ' ' B' ' 604' ' ' ARG . 2.3 tm? -51.87 -63.93 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.476 ' N ' HD13 ' B' ' 603' ' ' LEU . 5.6 ptm180 -54.25 -44.04 71.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 12.8 t -51.26 -51.38 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -61.16 -54.2 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.763 HG11 ' HG3' ' B' ' 573' ' ' MET . 99.2 t -51.18 -48.8 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -58.2 -52.83 63.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 609' ' ' GLU . . . . . 0.431 ' O ' HG23 ' B' ' 613' ' ' VAL . 29.1 mm-40 -53.37 -53.79 45.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.66 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.44 -60.57 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.609 HG21 ' CE1' ' B' ' 574' ' ' HIS . 58.5 t -50.11 -42.46 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.16 88.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.685 HG21 ' HG ' ' A' ' 69' ' ' LEU . 97.3 t -65.65 -39.18 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.608 HD13 ' HD3' ' B' ' 580' ' ' LYS . 15.8 mt -51.48 -29.52 16.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.885 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.661 ' HG ' HG21 ' B' ' 613' ' ' VAL . 4.1 pp -106.09 172.06 7.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -106.5 137.16 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 71' ' ' VAL . 7.2 p -78.11 -3.34 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -69.67 -19.88 63.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.452 ' HB1' ' CG ' ' B' ' 587' ' ' GLU . . . -57.9 121.06 9.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.08 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -52.13 159.92 1.36 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -89.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -172.06 -168.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.474 HG23 ' CD ' ' B' ' 559' ' ' LYS . 85.8 t -109.97 82.47 2.48 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.643 0.735 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.372 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.673 HD22 HD11 ' B' ' 594' ' ' LEU . 9.0 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.805 0.336 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -104.27 -39.11 6.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 76.9 p -108.95 27.88 9.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -125.94 160.23 57.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.541 0.686 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.77 168.06 22.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.66 24.18 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.749 2.3 . . . . 0.0 112.341 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -97.18 -40.51 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -66.1 -21.09 66.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -57.52 -64.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.537 ' CA ' HD11 ' B' ' 586' ' ' LEU . 15.9 ptpt -51.61 -34.18 36.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -62.21 -71.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 37.3 mtm -58.0 -56.02 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.685 HD21 HD12 ' B' ' 593' ' ' LEU . 9.3 tt -50.56 -60.39 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.67 -39.58 86.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -58.45 -47.73 83.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -74.74 -25.74 59.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -26.77 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.95 -57.95 10.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 110.933 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.77 -38.22 8.08 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.636 2.224 . . . . 0.0 112.362 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.614 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.8 OUTLIER -54.59 -38.37 66.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.55 HD13 HG22 ' B' ' 581' ' ' ILE . 67.6 mt -75.35 -33.69 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -58.93 -19.83 46.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.57 -28.12 30.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.527 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -124.55 -38.31 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.594 ' CD2' HG21 ' B' ' 611' ' ' VAL . 17.1 m80 -125.27 73.3 66.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 110.826 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -7.49 21.22 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.619 2.212 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 4.3 p -92.61 -58.01 2.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.462 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -92.19 15.1 14.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 578' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.9 -33.99 18.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.11 -72.02 0.74 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 580' ' ' LYS . . . . . 0.723 ' HD3' HD22 ' B' ' 614' ' ' LEU . 1.2 tttp -48.7 -41.63 32.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.712 0.292 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.55 HG22 HD13 ' B' ' 570' ' ' ILE . 49.2 mt -55.41 -59.4 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -31.24 65.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.37 -57.94 13.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.716 ' HE1' ' HB1' ' B' ' 610' ' ' ALA . 35.2 mtm -65.89 -42.5 90.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.432 HD22 HG22 ' B' ' 581' ' ' ILE . 8.2 mp -61.57 -30.35 70.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.639 ' HA ' HD11 ' B' ' 593' ' ' LEU . 7.7 tt -83.9 -19.18 35.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' B' ' 588' ' ' ILE . 0.9 OUTLIER -77.01 -55.2 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.463 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.05 -61.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.47 109.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.671 ' HB3' HD13 ' B' ' 562' ' ' LEU . 2.8 m120 -52.22 -45.54 65.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -36.86 63.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -67.6 -33.91 75.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.685 HD12 HD21 ' B' ' 562' ' ' LEU . 1.6 mt -73.19 -34.8 66.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.673 HD11 HD22 ' B' ' 550' ' ' LEU . 41.7 mt -64.33 -15.7 60.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -118.31 -15.29 9.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -89.44 -20.84 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.746 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -68.22 -7.99 35.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.552 ' N ' HD13 ' B' ' 597' ' ' LEU . 12.4 mt-10 -92.03 -14.37 29.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.81 121.05 55.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.699 0.761 . . . . 0.0 110.862 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -64.79 -22.44 66.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 72.5 m -82.75 -49.33 9.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.481 HD13 ' C ' ' B' ' 603' ' ' LEU . 2.8 tm? -50.71 -56.5 11.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -55.66 -37.81 68.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 31.1 t -64.66 -45.36 87.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -59.71 -57.57 12.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.527 HG11 ' HG3' ' B' ' 573' ' ' MET . 64.5 t -54.2 -50.64 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -55.71 -53.91 50.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -51.94 -52.93 46.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.716 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -51.66 -60.51 3.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.594 HG21 ' CD2' ' B' ' 574' ' ' HIS . 57.5 t -50.6 -36.86 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.42 93.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.661 HG21 ' HG ' ' A' ' 69' ' ' LEU . 84.0 t -64.21 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.723 HD22 ' HD3' ' B' ' 580' ' ' LYS . 8.3 mt -51.51 -30.43 20.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.944 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.784 0.326 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.713 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.6 pp -131.1 -175.43 3.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -108.56 137.27 46.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.616 ' HB ' HG12 ' B' ' 613' ' ' VAL . 10.3 p -86.94 -16.23 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.9 -17.13 63.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HB1' ' CD ' ' B' ' 587' ' ' GLU . . . -56.23 123.32 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -51.28 159.39 1.12 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -89.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.312 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.648 ' HB3' HD22 ' B' ' 586' ' ' LEU . 8.2 p90 -172.1 -169.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.97 82.46 2.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.955 HD12 HD11 ' B' ' 594' ' ' LEU . 4.2 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.766 0.317 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -89.39 -68.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 12.0 p -94.69 41.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -127.67 159.96 63.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.564 0.697 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.7 Cg_endo -69.78 168.38 21.75 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.665 2.244 . . . . 0.0 112.309 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 555' ' ' PRO . . . . . 0.421 ' HA ' ' HG3' ' B' ' 558' ' ' GLN . 53.9 Cg_endo -69.79 -7.41 21.01 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.668 2.246 . . . . 0.0 112.356 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -92.61 -52.78 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 557' ' ' GLU . . . . . 0.426 ' HB3' ' HE1' ' B' ' 561' ' ' MET . 1.6 tt0 -58.68 -24.36 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 558' ' ' GLN . . . . . 0.701 ' HA ' HD22 ' B' ' 550' ' ' LEU . 4.2 mt-30 -51.79 -62.52 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 559' ' ' LYS . . . . . 0.548 ' HB2' HD11 ' B' ' 586' ' ' LEU . 34.7 pttt -64.3 -25.11 67.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -68.3 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 561' ' ' MET . . . . . 0.426 ' HE1' ' HB3' ' B' ' 557' ' ' GLU . 45.3 mtm -60.96 -44.97 96.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.823 HD13 ' HB2' ' B' ' 590' ' ' ASN . 9.7 tt -62.4 -57.23 12.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.53 -38.68 93.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.49 -39.47 91.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -76.84 -34.71 57.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.9 -25.7 56.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.527 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.04 -58.25 9.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.72 -42.52 3.37 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.609 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.8 OUTLIER -51.14 -36.5 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 570' ' ' ILE . . . . . 0.769 HD12 ' HB ' ' B' ' 582' ' ' THR . 96.5 mt -75.43 -34.35 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -57.39 -21.52 36.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -52.7 -31.22 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.742 ' HE3' HG21 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -118.55 -38.55 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.716 ' CE1' HG11 ' B' ' 611' ' ' VAL . 21.8 m-70 -127.07 74.59 76.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.704 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -7.79 21.95 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.01 -42.39 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.455 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -100.37 15.03 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.38 -53.52 52.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.39 -50.74 34.28 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 580' ' ' LYS . . . . . 0.519 ' HB2' HD11 ' B' ' 614' ' ' LEU . 30.6 mmmt -63.38 -49.04 75.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.606 HD11 HG22 ' B' ' 611' ' ' VAL . 20.3 mt -55.4 -60.6 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 582' ' ' THR . . . . . 0.769 ' HB ' HD12 ' B' ' 570' ' ' ILE . 7.8 t -56.21 -33.6 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.45 -60.24 8.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.673 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 34.8 mtm -64.79 -44.91 88.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.545 ' O ' HD11 ' B' ' 593' ' ' LEU . 9.8 mp -58.82 -30.25 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 76' ' ' PHE . 2.9 tt -82.8 -19.15 38.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tt0 -76.07 -56.34 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.98 -60.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.84 103.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.823 ' HB2' HD13 ' B' ' 562' ' ' LEU . 2.6 p-10 -51.03 -42.87 60.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.91 -39.47 68.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.27 -33.75 76.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.772 HD12 HD21 ' B' ' 562' ' ' LEU . 2.4 mt -72.33 -34.67 68.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.955 HD11 HD12 ' B' ' 550' ' ' LEU . 54.6 mt -61.22 -17.5 53.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -118.73 -15.2 9.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.12 -19.78 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.736 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -68.87 -7.8 37.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.517 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.1 mt-10 -85.95 -15.55 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 37.7 t -100.17 121.22 54.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.83 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.722 2.282 . . . . 0.0 112.319 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.45 -19.6 65.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 20.0 m -86.27 -49.29 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.483 HD13 ' N ' ' B' ' 604' ' ' ARG . 2.1 tm? -51.23 -62.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 604' ' ' ARG . . . . . 0.483 ' N ' HD13 ' B' ' 603' ' ' LEU . 15.8 mmm180 -57.53 -36.09 71.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.4 t -62.03 -48.23 81.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -62.2 -53.78 50.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.742 HG21 ' HE3' ' B' ' 573' ' ' MET . 93.3 t -51.09 -51.83 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -57.28 -51.1 70.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 609' ' ' GLU . . . . . 0.453 ' O ' HG23 ' B' ' 613' ' ' VAL . 57.5 mm-40 -55.73 -51.63 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.673 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -52.45 -59.83 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.716 HG11 ' CE1' ' B' ' 574' ' ' HIS . 39.6 t -50.6 -42.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.85 95.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.713 HG21 ' HG ' ' A' ' 69' ' ' LEU . 95.3 t -63.91 -38.19 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' B' ' 580' ' ' LYS . 29.7 mt -50.27 -32.08 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.664 ' HG ' HG21 ' B' ' 613' ' ' VAL . 2.6 pp -121.94 168.2 12.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -89.73 137.45 32.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.8 p -93.79 -13.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -70.07 -11.01 60.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.8 119.33 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 155.86 2.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.647 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.9 Cg_endo -69.79 -89.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -172.12 -169.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.1 t -109.88 82.54 2.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.631 0.729 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.227 . . . . 0.0 112.371 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.616 ' HB2' HD11 ' B' ' 594' ' ' LEU . 8.4 mp . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.837 0.351 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -101.2 -50.19 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.081 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 6.2 p -105.59 30.36 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.583 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -120.99 160.6 44.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 111.082 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.583 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.7 Cg_endo -69.76 167.7 23.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.367 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.85 24.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -94.26 -51.49 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -57.47 -23.67 51.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 558' ' ' GLN . . . . . 0.428 ' HB3' HD23 ' B' ' 550' ' ' LEU . 4.3 mt-30 -52.03 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -34.9 70.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -62.95 -67.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 49.6 mtm -57.71 -59.02 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.625 HD22 ' OD1' ' B' ' 590' ' ' ASN . 10.6 tt -51.62 -59.99 3.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.33 -45.6 65.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.23 -44.43 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -73.26 -27.9 61.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 2.6 mp -75.9 -27.02 57.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.2 -58.06 9.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.855 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.73 -38.8 7.37 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.373 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.619 ' O ' HD13 ' B' ' 569' ' ' LEU . 1.2 tm? -52.96 -39.9 63.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 17.1 mt -75.28 -32.44 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.89 -19.34 50.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.55 68.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.709 ' HE3' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -120.73 -24.68 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.683 ' CD2' HG21 ' B' ' 611' ' ' VAL . 8.2 m80 -142.29 73.57 21.26 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.702 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.16 20.36 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.661 2.24 . . . . 0.0 112.321 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 3.2 p -93.27 -60.53 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.456 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.11 13.87 13.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 578' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.39 -32.59 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.67 -73.98 0.49 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 580' ' ' LYS . . . . . 0.628 ' HD3' HD22 ' B' ' 614' ' ' LEU . 34.7 mttp -48.02 -41.32 25.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.631 HD11 HG22 ' B' ' 611' ' ' VAL . 53.7 mt -55.61 -60.17 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -31.59 63.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.87 -59.95 8.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.682 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 33.0 mtm -64.57 -43.34 94.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.595 HD22 HG22 ' B' ' 581' ' ' ILE . 7.4 mp -60.37 -29.99 69.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 75' ' ' PRO . 2.7 tt -83.68 -18.99 36.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tm-20 -76.87 -55.21 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.464 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.01 -60.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.19 105.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.625 ' OD1' HD22 ' B' ' 562' ' ' LEU . 61.5 m-20 -51.69 -45.09 63.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.55 -38.34 63.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -67.17 -33.83 76.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.55 HD11 ' HA ' ' B' ' 586' ' ' LEU . 2.1 mt -72.22 -34.84 68.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' B' ' 550' ' ' LEU . 10.1 mt -61.66 -17.42 55.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -118.5 -15.04 9.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -89.36 -18.32 27.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.733 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.84 -7.03 36.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.545 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.7 mt-10 -90.28 -15.04 32.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 36.8 t -98.16 121.9 55.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -41.3 4.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.86 -18.54 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.4 t -85.13 -51.35 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.709 HD11 ' HE3' ' B' ' 573' ' ' MET . 6.6 tp -51.44 -63.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -54.94 -37.96 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 14.2 t -60.62 -51.94 67.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -57.4 -55.21 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.691 HG11 ' HG3' ' B' ' 573' ' ' MET . 92.0 t -51.83 -44.78 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -59.34 -56.9 16.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 609' ' ' GLU . . . . . 0.404 ' O ' HG23 ' B' ' 613' ' ' VAL . 54.1 mm-40 -52.6 -51.25 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.682 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.42 -60.17 3.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.683 HG21 ' CD2' ' B' ' 574' ' ' HIS . 86.6 t -50.52 -42.23 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.31 89.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.664 HG21 ' HG ' ' A' ' 69' ' ' LEU . 92.2 t -65.43 -40.58 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.628 HD22 ' HD3' ' B' ' 580' ' ' LYS . 11.5 mt -51.65 -29.45 17.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.846 0.355 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.621 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -126.85 -175.76 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 73' ' ' ALA . 14.8 p-10 -109.24 138.78 45.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.552 ' HB ' HG12 ' B' ' 613' ' ' VAL . 9.0 p -85.05 -17.38 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -69.89 -18.81 63.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.427 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . . . -51.43 124.17 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.047 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -51.61 160.72 0.97 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.433 ' HA ' ' HA3' ' B' ' 583' ' ' GLY . 53.4 Cg_endo -69.82 -89.27 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.636 2.224 . . . . 0.0 112.318 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.582 ' HB3' HD22 ' B' ' 586' ' ' LEU . 9.3 p90 -171.98 -168.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.7 t -109.55 83.62 2.71 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.561 0.696 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.15 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 550' ' ' LEU . . . . . 0.95 HD12 HD11 ' B' ' 594' ' ' LEU . 4.7 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -51.5 -51.47 54.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.0 t -93.71 41.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -146.18 160.74 41.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 554' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.4 Cg_endo -69.8 168.69 20.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 555' ' ' PRO . . . . . 0.414 ' HA ' ' HG3' ' B' ' 558' ' ' GLN . 53.9 Cg_endo -69.75 -7.55 21.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.278 . . . . 0.0 112.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.09 -47.7 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 557' ' ' GLU . . . . . 0.43 ' HA ' ' NE2' ' B' ' 560' ' ' GLN . 0.3 OUTLIER -62.04 -23.77 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 558' ' ' GLN . . . . . 0.463 ' HA ' HD22 ' B' ' 550' ' ' LEU . 4.2 mt-30 -53.18 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -50.92 -32.54 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 560' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' B' ' 557' ' ' GLU . 14.5 mt-30 -64.44 -71.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 561' ' ' MET . . . . . 0.405 ' HE1' ' HB3' ' B' ' 557' ' ' GLU . 46.4 mtm -54.19 -55.68 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.752 HD13 ' HB3' ' B' ' 590' ' ' ASN . 8.1 tt -51.16 -60.17 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.47 67.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -57.01 -47.68 80.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -71.13 -26.79 63.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.3 mp -75.73 -27.28 58.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.17 -58.25 9.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.672 0.748 . . . . 0.0 110.833 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.68 -38.02 8.54 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 569' ' ' LEU . . . . . 0.562 ' O ' HD13 ' B' ' 569' ' ' LEU . 1.0 OUTLIER -51.91 -42.68 62.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 8.7 mt -75.52 -33.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.84 -20.14 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -55.06 -25.82 33.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 573' ' ' MET . . . . . 0.455 ' HE3' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -126.78 -41.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 574' ' ' HIS . . . . . 0.667 ' CE1' HG11 ' B' ' 611' ' ' VAL . 22.4 m-70 -122.29 74.61 41.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -7.25 20.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.361 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 576' ' ' THR . . . . . 0.4 ' OG1' HD22 ' B' ' 577' ' ' LEU . 3.2 p -95.22 -53.71 3.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 577' ' ' LEU . . . . . 0.471 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.7 mm? -90.39 12.22 19.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.3 -33.32 28.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.8 -59.02 8.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 580' ' ' LYS . . . . . 0.51 ' HD3' HD22 ' B' ' 614' ' ' LEU . 40.1 mttm -62.29 -40.04 94.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 581' ' ' ILE . . . . . 0.66 HD11 HG22 ' B' ' 611' ' ' VAL . 61.4 mt -58.38 -62.05 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 6.5 t -56.95 -34.02 67.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 583' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 75' ' ' PRO . . . -60.02 -59.83 9.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 584' ' ' MET . . . . . 0.66 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 37.9 mtm -65.16 -45.82 83.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 585' ' ' LEU . . . . . 0.524 ' O ' HD11 ' B' ' 593' ' ' LEU . 9.8 mp -57.85 -29.25 64.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 586' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 76' ' ' PHE . 1.6 tt -83.56 -19.61 35.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 587' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.5 tp10 -77.3 -55.15 5.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 588' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.7 OUTLIER -33.26 -61.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.79 106.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 590' ' ' ASN . . . . . 0.752 ' HB3' HD13 ' B' ' 562' ' ' LEU . 84.4 m-20 -52.46 -40.72 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 2.2 t -55.34 -39.18 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -67.94 -33.81 75.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 593' ' ' LEU . . . . . 0.676 HD12 HD21 ' B' ' 562' ' ' LEU . 2.3 mt -71.7 -35.99 70.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 594' ' ' LEU . . . . . 0.95 HD11 HD12 ' B' ' 550' ' ' LEU . 55.5 mt -62.83 -16.45 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -118.74 -12.08 9.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -88.21 -23.4 23.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 597' ' ' LEU . . . . . 0.736 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.55 -6.5 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 598' ' ' GLU . . . . . 0.511 ' N ' HD13 ' B' ' 597' ' ' LEU . 13.3 mt-10 -89.03 9.02 26.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 48.4 t -134.05 128.38 19.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -48.3 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.19 -18.74 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 23.2 m -84.76 -54.16 4.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 603' ' ' LEU . . . . . 0.455 HD11 ' HE3' ' B' ' 573' ' ' MET . 7.1 tp -52.21 -58.51 6.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -57.33 -41.34 79.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.4 t -54.87 -53.21 58.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.4 -54.3 48.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 607' ' ' VAL . . . . . 0.603 ' O ' HG23 ' B' ' 611' ' ' VAL . 93.9 t -51.13 -52.02 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.75 -51.23 69.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -55.38 -52.16 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 610' ' ' ALA . . . . . 0.66 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.73 -60.17 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 611' ' ' VAL . . . . . 0.667 HG11 ' CE1' ' B' ' 574' ' ' HIS . 40.4 t -50.24 -43.3 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.56 88.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 613' ' ' VAL . . . . . 0.621 HG21 ' HG ' ' A' ' 69' ' ' LEU . 70.2 t -63.33 -40.87 90.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 614' ' ' LEU . . . . . 0.51 HD22 ' HD3' ' B' ' 580' ' ' LYS . 12.6 mt -51.04 -36.13 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.908 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.609 ' HB2' HD23 ' A' ' 69' ' ' LEU . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.78 0.324 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.564 ' CE2' HG22 ' B' ' 588' ' ' ILE . 0.2 OUTLIER -126.8 -65.0 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.2 m -117.61 -35.91 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -164.58 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.64 ' HG3' HG22 ' B' ' 613' ' ' VAL . 22.8 tt0 -109.11 161.87 14.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.675 HD12 HG11 ' B' ' 613' ' ' VAL . 2.7 pp -119.73 -176.74 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -92.14 137.41 32.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.579 ' HB ' HG12 ' B' ' 613' ' ' VAL . 7.4 p -92.19 -20.08 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -69.76 -16.9 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.47 116.38 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -51.41 160.3 0.99 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.562 0.696 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -89.06 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -172.24 -169.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.4 m -110.05 82.2 2.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 177.97 4.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -109.19 41.1 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 52.9 t -108.09 115.69 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -111.57 -67.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.8 143.2 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.776 0.322 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 51.92 68.21 3.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.636 0.732 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 544' ' ' PRO . . . . . 0.407 ' O ' HG23 ' B' ' 546' ' ' THR . 54.1 Cg_endo -69.72 169.84 17.93 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' B' ' 565' ' ' ARG . 19.1 tp -54.63 144.94 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 546' ' ' THR . . . . . 0.407 HG23 ' O ' ' B' ' 544' ' ' PRO . 30.1 p -142.42 142.52 32.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -59.13 -22.06 60.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 48.8 m -62.56 -44.92 95.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 549' ' ' MET . . . . . 0.404 ' HE2' HD12 ' B' ' 545' ' ' LEU . 6.8 mtm -52.06 -38.57 57.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 8.9 mp -86.47 -27.21 24.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.74 99.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 23.3 t -95.97 33.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -140.41 160.45 59.49 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.0 Cg_endo -69.71 168.63 20.93 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 555' ' ' PRO . . . . . 0.417 ' HA ' ' HG3' ' B' ' 558' ' ' GLN . 53.4 Cg_endo -69.88 -7.75 21.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -93.39 -50.69 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.68 -23.54 64.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.417 ' HG3' ' HA ' ' B' ' 555' ' ' PRO . 3.7 mt-30 -52.82 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.683 ' HB2' HD11 ' B' ' 586' ' ' LEU . 24.7 pttt -51.64 -32.32 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -61.53 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.2 mtm -61.88 -54.94 35.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.778 HD13 ' HB3' ' B' ' 590' ' ' ASN . 9.2 tt -52.0 -60.13 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.41 -38.32 78.94 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -62.83 -42.05 99.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.375 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.429 ' HD2' HD13 ' B' ' 545' ' ' LEU . 22.8 ttt-85 -75.96 -31.72 59.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -26.05 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.533 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.53 -57.8 10.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.2 Cg_endo -69.84 -40.8 4.78 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.574 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -53.13 -35.5 59.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.599 HD13 HG22 ' B' ' 581' ' ' ILE . 91.4 mt -75.36 -33.9 28.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -56.46 -21.81 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.11 -32.45 22.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.797 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -120.37 -33.4 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.795 ' CE1' HG21 ' B' ' 611' ' ' VAL . 10.1 m80 -130.77 75.55 78.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.805 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -7.57 21.39 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.732 2.288 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.7 p -98.46 -55.37 2.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.666 HD11 ' O ' ' B' ' 619' ' ' ALA . 2.8 mm? -88.47 8.88 25.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 578' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.08 -35.63 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.54 -70.08 1.14 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 580' ' ' LYS . . . . . 0.668 ' HE2' HD22 ' B' ' 614' ' ' LEU . 7.6 mtpt -51.03 -41.48 59.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.599 HG22 HD13 ' B' ' 570' ' ' ILE . 48.3 mt -54.91 -60.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.459 ' HB ' HD12 ' B' ' 570' ' ' ILE . 0.6 OUTLIER -58.62 -29.92 66.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.81 -59.23 9.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.705 ' HE1' ' HB1' ' B' ' 610' ' ' ALA . 35.1 mtm -62.53 -44.0 97.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.528 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.4 mp -61.72 -29.93 70.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' B' ' 559' ' ' LYS . 4.9 tt -81.44 -20.09 41.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.5 tp10 -77.48 -57.21 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.564 HG22 ' CE2' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -33.85 -62.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.25 112.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.778 ' HB3' HD13 ' B' ' 562' ' ' LEU . 45.1 m-20 -52.15 -45.65 65.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.91 -45.44 60.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.11 -38.8 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.682 HD12 HD21 ' B' ' 562' ' ' LEU . 3.0 mt -65.06 -38.03 89.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.12 -16.48 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -110.88 -16.47 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 596' ' ' MET . . . . . 0.44 ' HE3' ' HG3' ' B' ' 606' ' ' LYS . 23.2 mtm -90.84 -35.26 14.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.824 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -63.78 -13.22 42.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.824 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.6 pt-20 -94.85 31.76 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.85 136.95 6.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -48.96 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.656 2.237 . . . . 0.0 112.386 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.13 -20.13 56.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 18.0 t -91.35 -55.82 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.469 HD13 ' C ' ' B' ' 603' ' ' LEU . 3.1 tm? -51.84 -61.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -54.91 -35.32 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.3 t -63.2 -50.53 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.451 ' HB3' HD21 ' B' ' 585' ' ' LEU . 30.7 mmmt -59.69 -57.18 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.797 HG11 ' HG3' ' B' ' 573' ' ' MET . 95.6 t -50.76 -51.42 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -56.97 -52.31 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 609' ' ' GLU . . . . . 0.469 ' O ' HG23 ' B' ' 613' ' ' VAL . 0.3 OUTLIER -53.88 -54.51 37.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.705 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -50.38 -59.82 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.795 HG21 ' CE1' ' B' ' 574' ' ' HIS . 58.8 t -49.52 -42.42 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.41 79.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.675 HG11 HD12 ' A' ' 69' ' ' LEU . 93.6 t -67.68 -42.0 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.668 HD22 ' HE2' ' B' ' 580' ' ' LYS . 10.4 mt -63.07 -19.85 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -51.54 -30.01 18.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -75.89 -41.34 52.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -77.17 -68.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -173.93 146.7 1.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 619' ' ' ALA . . . . . 0.666 ' O ' HD11 ' B' ' 577' ' ' LEU . . . -88.02 -68.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -127.93 28.69 5.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 56.86 40.01 29.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -121.52 25.32 9.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.769 0.319 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -125.3 -39.02 2.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.27 -169.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -84.01 2.35 39.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -120.46 112.52 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.805 ' HG ' HG21 ' B' ' 613' ' ' VAL . 1.0 OUTLIER -119.29 -175.99 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -99.08 135.71 40.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.507 ' HB ' HG12 ' B' ' 613' ' ' VAL . 14.9 p -85.25 -22.76 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -70.2 -11.03 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.78 124.03 16.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -51.5 157.47 1.76 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -89.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.302 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.59 ' HB3' HD22 ' B' ' 586' ' ' LEU . 13.2 p90 -172.03 -169.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.84 83.46 2.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 178.66 4.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -118.54 39.13 3.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.5 141.82 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -97.62 39.18 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -176.56 158.72 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -150.3 68.88 8.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 172.13 13.17 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 63.0 tp -72.64 151.21 42.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 6.8 t -144.97 156.17 43.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -55.19 -27.45 45.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 14.5 m -53.15 -47.12 69.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 4.0 mmt -53.45 -41.51 66.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 7.4 mp -95.65 26.46 3.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.44 -54.86 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 5.7 t -98.27 25.28 6.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -117.18 160.46 37.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.4 Cg_endo -69.78 167.84 23.32 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -11.28 30.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -93.28 -46.64 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 557' ' ' GLU . . . . . 0.421 ' O ' ' HE2' ' B' ' 561' ' ' MET . 41.7 mt-10 -59.28 -25.06 63.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -54.8 -71.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -51.8 -32.72 32.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 560' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' B' ' 557' ' ' GLU . 15.9 mt-30 -62.82 -67.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 561' ' ' MET . . . . . 0.421 ' HE2' ' O ' ' B' ' 557' ' ' GLU . 40.8 mtm -60.92 -55.74 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.767 HD13 ' HB3' ' B' ' 590' ' ' ASN . 9.1 tt -51.74 -58.39 6.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.44 -54.31 38.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.513 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.48 -42.5 61.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -74.12 -27.85 61.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -25.36 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.517 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.19 -58.71 8.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.644 0.735 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -39.96 5.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.524 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -52.46 -40.14 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.625 HD12 ' HB ' ' B' ' 582' ' ' THR . 56.7 mt -75.72 -32.68 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 571' ' ' GLN . . . . . 0.409 ' HG2' ' HA ' ' B' ' 575' ' ' PRO . 32.7 mt-30 -58.47 -19.7 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.34 43.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.734 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -124.66 -38.53 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.732 ' CE1' HG21 ' B' ' 611' ' ' VAL . 12.9 m80 -124.72 75.06 64.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 575' ' ' PRO . . . . . 0.409 ' HA ' ' HG2' ' B' ' 571' ' ' GLN . 53.6 Cg_endo -69.81 -6.44 18.62 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.736 2.291 . . . . 0.0 112.354 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.0 p -96.7 -54.25 3.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.81 14.44 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.66 -39.08 57.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.56 -52.89 35.33 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -62.78 -40.56 97.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.507 HG22 HD22 ' B' ' 585' ' ' LEU . 27.0 mt -61.05 -60.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.625 ' HB ' HD12 ' B' ' 570' ' ' ILE . 8.2 t -57.06 -33.46 67.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.84 -59.32 9.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.707 ' CE ' HD21 ' B' ' 614' ' ' LEU . 39.9 mtm -62.71 -44.47 96.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.552 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.2 mp -60.8 -30.94 70.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 76' ' ' PHE . 7.4 tt -80.24 -19.59 46.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 11.0 tm-20 -77.37 -58.44 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.37 -62.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.77 113.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.767 ' HB3' HD13 ' B' ' 562' ' ' LEU . 54.6 m-20 -53.26 -47.02 69.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -43.48 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -61.33 -38.78 88.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.674 HD12 HD21 ' B' ' 562' ' ' LEU . 3.3 mt -65.17 -40.6 94.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.31 -15.41 60.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -106.45 -20.12 13.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 33.3 mtm -88.02 -40.67 13.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.874 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -63.27 -14.34 48.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.874 ' N ' HD13 ' B' ' 597' ' ' LEU . 1.3 pp20? -71.7 -15.01 62.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.48 147.97 68.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.71 0.767 . . . . 0.0 110.868 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -47.43 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.404 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.97 -23.7 47.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 2.4 m -87.24 -51.92 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.798 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.474 HD13 ' C ' ' B' ' 603' ' ' LEU . 2.2 tm? -54.3 -62.75 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.474 ' N ' HD13 ' B' ' 603' ' ' LEU . 41.5 ttp180 -52.97 -44.63 67.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.4 t -52.19 -51.26 59.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -59.85 -56.08 26.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.734 HG11 ' HG3' ' B' ' 573' ' ' MET . 95.5 t -50.79 -53.13 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -52.42 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -54.25 -53.32 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.69 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -51.12 -60.07 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.732 HG21 ' CE1' ' B' ' 574' ' ' HIS . 39.8 t -49.92 -42.12 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.69 92.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.805 HG21 ' HG ' ' A' ' 69' ' ' LEU . 53.0 t -64.74 -42.26 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.079 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.707 HD21 ' CE ' ' B' ' 584' ' ' MET . 8.3 mt -53.81 -32.88 54.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -54.84 -27.5 42.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.6 94.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 617' ' ' HIS . . . . . 0.42 ' HB2' HG11 ' A' ' 71' ' ' VAL . 11.6 t-160 -93.98 -68.47 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -146.57 137.22 23.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -108.94 53.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.062 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 14.0 tptp 56.3 35.61 26.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.47 -30.07 51.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -90.99 72.04 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.332 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -140.69 159.53 42.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -96.76 -33.08 11.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -56.11 177.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -51.65 156.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.645 ' CD1' HG21 ' B' ' 613' ' ' VAL . 3.1 pp -125.41 -176.51 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -101.35 136.56 40.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.528 HG23 ' CD2' ' B' ' 614' ' ' LEU . 7.2 p -86.92 -19.19 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -70.05 -17.85 63.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HB1' ' CD ' ' B' ' 587' ' ' GLU . . . -51.43 123.41 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -52.14 160.49 1.2 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -88.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.57 ' HB3' HD22 ' B' ' 586' ' ' LEU . 9.2 p90 -171.84 -169.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.9 t -109.98 82.58 2.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.666 0.746 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 177.96 5.05 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -124.37 36.25 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.53 137.91 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -72.67 -26.7 61.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -174.28 165.69 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 62.98 73.64 0.5 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 163.53 37.88 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.27 . . . . 0.0 112.371 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.501 HD21 ' HA ' ' B' ' 562' ' ' LEU . 12.5 tp -94.65 153.34 17.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 2.5 m -161.01 160.44 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 547' ' ' ALA . . . . . 0.622 ' HA ' HD13 ' B' ' 594' ' ' LEU . . . -51.73 -35.66 44.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 13.4 p -53.96 -28.11 35.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 68.6 mmm -66.07 -44.55 84.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' B' ' 558' ' ' GLN . 3.9 mt -97.53 33.13 2.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -95.1 -58.89 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.68 23.4 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -112.48 159.8 32.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 111.104 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.3 Cg_endo -69.79 167.4 24.59 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -9.08 25.23 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -95.92 -45.87 6.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 557' ' ' GLU . . . . . 0.411 ' HB3' ' HE2' ' B' ' 561' ' ' MET . 19.0 mm-40 -59.87 -26.79 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.58 ' HA ' HD22 ' B' ' 550' ' ' LEU . 6.2 mt-30 -52.02 -68.65 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -56.56 -32.37 65.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -62.48 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 561' ' ' MET . . . . . 0.411 ' HE2' ' HB3' ' B' ' 557' ' ' GLU . 38.5 mtm -61.71 -58.46 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.717 HD21 HD12 ' B' ' 593' ' ' LEU . 8.8 tt -50.93 -55.41 17.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.93 -54.78 35.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -52.19 -42.13 63.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -28.01 61.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.78 -25.95 56.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.71 -58.22 9.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -41.05 4.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.493 HD13 ' C ' ' B' ' 569' ' ' LEU . 3.3 tm? -51.76 -38.39 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.59 HD13 HG22 ' B' ' 581' ' ' ILE . 75.3 mt -75.08 -35.67 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -59.32 -19.36 45.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.45 -26.58 20.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.605 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -126.73 -38.02 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.547 ' O ' ' HB2' ' B' ' 578' ' ' ALA . 16.6 m80 -126.03 72.57 70.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.43 21.02 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 2.241 . . . . 0.0 112.385 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 9.0 p -89.65 -61.84 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.587 HD21 ' HB2' ' B' ' 620' ' ' LYS . 2.7 mm? -89.25 11.38 19.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 578' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -48.25 -31.81 6.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.88 -76.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 580' ' ' LYS . . . . . 0.649 ' HD3' HD22 ' B' ' 614' ' ' LEU . 41.4 mttm -48.26 -38.47 18.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.714 0.292 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.59 HG22 HD13 ' B' ' 570' ' ' ILE . 59.5 mt -56.21 -59.94 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.6 -31.24 67.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.79 -60.04 8.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.627 ' HE1' ' HB1' ' B' ' 610' ' ' ALA . 35.8 mtm -62.73 -43.09 99.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.531 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.0 mp -61.44 -30.38 70.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.593 ' HA ' HD11 ' B' ' 593' ' ' LEU . 6.9 tt -81.32 -19.95 41.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' B' ' 588' ' ' ILE . 8.0 tt0 -77.46 -57.38 3.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -33.68 -62.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.13 113.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.663 ' HB3' HD13 ' B' ' 562' ' ' LEU . 79.9 m-20 -52.98 -43.67 66.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 2.7 t -51.23 -45.89 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.65 -39.11 87.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.717 HD12 HD21 ' B' ' 562' ' ' LEU . 3.0 mt -64.78 -37.81 88.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.622 HD13 ' HA ' ' B' ' 547' ' ' ALA . 18.1 mt -63.92 -16.46 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -109.02 -17.28 13.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 26.8 mtm -90.92 -35.97 14.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.835 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -64.68 -12.64 48.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.835 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.9 pt-20 -94.51 31.37 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.97 142.66 2.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.845 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -48.82 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.32 -20.47 54.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.7 m -89.0 -55.63 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.513 HD21 ' HE1' ' B' ' 573' ' ' MET . 15.6 tp -58.59 -56.61 19.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -55.69 -34.73 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 6.2 t -64.7 -51.46 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.433 ' HB3' HD21 ' B' ' 585' ' ' LEU . 30.6 mmmt -60.82 -57.23 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.629 ' O ' HG23 ' B' ' 611' ' ' VAL . 95.5 t -50.85 -50.53 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.49 -53.49 57.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 609' ' ' GLU . . . . . 0.473 ' OE2' HD23 ' A' ' 69' ' ' LEU . 24.9 tt0 -54.53 -54.3 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.627 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -50.24 -60.18 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 607' ' ' VAL . 58.7 t -49.79 -42.79 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.66 88.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.645 HG21 ' CD1' ' A' ' 69' ' ' LEU . 98.8 t -64.38 -42.37 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.649 HD22 ' HD3' ' B' ' 580' ' ' LYS . 19.8 mt -61.43 -19.93 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 615' ' ' GLN . . . . . 0.458 ' HA ' ' HB2' ' B' ' 619' ' ' ALA . 32.2 tt0 -56.17 -25.04 45.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -91.87 -17.98 24.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -88.43 -69.99 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -127.08 -37.78 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 619' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' B' ' 615' ' ' GLN . . . 64.65 45.82 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 620' ' ' LYS . . . . . 0.587 ' HB2' HD21 ' B' ' 577' ' ' LEU . 10.9 ttmt 53.32 41.62 32.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -103.72 66.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -173.72 138.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.059 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.513 ' N ' ' HZ3' ' B' ' 606' ' ' LYS . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.836 0.351 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -51.09 132.98 28.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.2 p -77.65 68.79 3.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -175.03 179.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -51.66 147.12 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.688 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.1 pp -116.92 179.62 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -96.42 135.55 38.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.416 ' HB ' HG12 ' B' ' 613' ' ' VAL . 7.6 p -88.75 -20.76 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -71.07 -15.0 62.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.05 120.87 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -51.51 160.21 1.05 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -88.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.299 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.495 ' HB3' HD13 ' B' ' 586' ' ' LEU . 12.2 p90 -171.85 -168.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.535 HG23 ' CE ' ' B' ' 559' ' ' LYS . 87.1 t -109.9 82.66 2.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 111.072 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 -179.05 2.69 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.222 . . . . 0.0 112.321 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -102.41 26.75 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.4 t -119.92 97.46 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -78.98 63.65 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -125.64 133.33 52.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -168.63 68.66 0.74 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.66 0.743 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 157.43 60.43 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.295 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.615 HD12 ' H ' ' B' ' 546' ' ' THR . 13.2 tp -62.94 144.1 57.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 546' ' ' THR . . . . . 0.615 ' H ' HD12 ' B' ' 545' ' ' LEU . 1.8 m -161.22 162.52 31.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -59.51 -18.87 43.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 69.8 m -51.77 -46.78 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 549' ' ' MET . . . . . 0.835 ' HG3' HD12 ' B' ' 550' ' ' LEU . 5.9 ptp -65.34 -30.04 70.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.835 HD12 ' HG3' ' B' ' 549' ' ' MET . 2.9 mp -93.04 17.88 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -97.15 -50.74 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.09 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 13.6 m -100.97 37.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -128.71 160.44 62.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.575 0.702 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.2 Cg_endo -69.69 167.73 23.51 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -96.61 -42.64 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.71 -21.4 66.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -56.86 -72.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.535 ' CE ' HG23 ' A' ' 77' ' ' VAL . 14.0 ptmt -54.49 -30.57 53.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -64.52 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 68.1 mtm -56.77 -57.12 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.755 HD21 HD12 ' B' ' 593' ' ' LEU . 9.2 tt -50.74 -60.32 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.38 -40.07 75.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -55.98 -52.65 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -71.72 -23.75 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.31 -27.79 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.504 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.07 -58.96 7.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.8 -36.1 11.32 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.537 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.9 OUTLIER -52.72 -43.99 66.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 10.8 mt -75.41 -31.99 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.127 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -59.26 -19.35 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.31 -23.59 49.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.54 ' CE ' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -128.56 -41.45 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.597 ' CD2' HG21 ' B' ' 611' ' ' VAL . 40.4 m80 -122.86 74.12 46.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.729 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -7.28 20.66 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.468 ' OG1' HD22 ' B' ' 577' ' ' LEU . 10.0 p -92.62 -55.89 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.468 HD22 ' OG1' ' B' ' 576' ' ' THR . 2.7 mm? -92.07 16.78 10.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.94 -37.13 51.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.83 -54.98 22.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 580' ' ' LYS . . . . . 0.611 ' HD3' HD22 ' B' ' 614' ' ' LEU . 25.2 mttp -63.05 -39.54 95.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.441 HG22 HD22 ' B' ' 585' ' ' LEU . 50.2 mt -60.46 -60.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.6 t -56.62 -34.41 67.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.77 -59.24 10.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.543 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.632 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 44.6 mtm -62.57 -44.47 96.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.533 ' O ' HD11 ' B' ' 593' ' ' LEU . 7.1 mp -62.58 -25.82 68.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.55 ' HA ' HD11 ' B' ' 593' ' ' LEU . 5.5 tt -81.78 -23.15 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tt0 -77.49 -55.45 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.449 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -33.92 -61.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.44 109.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.676 ' HB3' HD13 ' B' ' 562' ' ' LEU . 81.2 m-20 -52.94 -46.62 68.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.94 -42.77 60.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.06 -40.25 95.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.755 HD12 HD21 ' B' ' 562' ' ' LEU . 1.9 mt -63.95 -39.15 93.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.68 -11.45 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -116.57 -12.05 11.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 33.5 mtm -90.13 -26.91 19.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.729 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -70.63 -5.96 33.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.551 ' N ' HD13 ' B' ' 597' ' ' LEU . 4.8 mt-10 -88.01 -2.1 58.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.79 138.9 29.17 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -60.02 -19.87 54.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 70.1 m -86.46 -56.07 3.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.54 HD11 ' CE ' ' B' ' 573' ' ' MET . 9.5 tp -54.83 -56.68 16.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -56.4 -42.0 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.2 t -56.23 -53.14 60.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.513 ' HZ3' ' N ' ' A' ' 64' ' ' ALA . 31.1 mmmt -56.15 -55.5 32.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.55 ' O ' HG23 ' B' ' 611' ' ' VAL . 85.0 t -54.48 -50.67 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.64 -56.43 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -52.15 -53.34 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.632 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -50.62 -60.32 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.597 HG21 ' CD2' ' B' ' 574' ' ' HIS . 73.1 t -49.59 -41.67 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.65 93.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.688 HG21 ' HG ' ' A' ' 69' ' ' LEU . 95.3 t -63.45 -44.58 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.611 HD22 ' HD3' ' B' ' 580' ' ' LYS . 21.9 mt -54.4 -44.56 72.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -53.48 -33.39 54.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -56.33 -24.83 46.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -112.77 -62.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -138.19 130.68 29.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -60.81 -74.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -128.74 37.98 4.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -119.63 75.51 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.56 87.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.808 0.337 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -62.4 150.09 40.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.0 m -116.52 -23.09 8.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.09 -168.4 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -50.91 143.12 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.691 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.7 pp -113.11 -175.54 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -105.68 131.33 53.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 71' ' ' VAL . 7.3 p -81.28 -4.53 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.94 -25.1 63.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.428 ' HB1' ' HG3' ' B' ' 587' ' ' GLU . . . -51.71 122.67 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -51.46 160.54 0.96 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -89.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.426 ' HB3' HD22 ' B' ' 586' ' ' LEU . 8.0 p90 -172.01 -168.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.8 t -109.71 83.05 2.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -170.92 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.331 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -122.14 29.41 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.5 t -123.06 122.98 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -63.63 -53.25 54.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.078 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -178.59 158.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -171.35 68.39 0.47 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.706 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 157.61 59.79 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.624 2.216 . . . . 0.0 112.36 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.452 HD13 ' HD3' ' B' ' 565' ' ' ARG . 57.6 tp -96.79 145.26 26.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 10.4 t -152.94 168.0 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -58.94 -26.62 64.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 3.4 m -52.08 -51.07 60.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 10.8 mmm -53.11 -40.84 64.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp -96.49 27.61 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -108.03 -29.72 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 1.1 m -114.9 24.55 11.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -124.73 159.99 55.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.1 Cg_endo -69.66 167.29 24.72 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.752 2.301 . . . . 0.0 112.343 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -8.89 24.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -96.57 -41.07 8.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 557' ' ' GLU . . . . . 0.416 ' HG2' ' HE1' ' B' ' 561' ' ' MET . 0.5 OUTLIER -68.33 -18.85 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -58.33 -66.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.41 ' O ' HD11 ' B' ' 586' ' ' LEU . 1.9 ptpm? -51.57 -33.14 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -68.91 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 561' ' ' MET . . . . . 0.416 ' HE1' ' HG2' ' B' ' 557' ' ' GLU . 49.0 mtm -58.12 -54.4 47.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.665 HD21 HD12 ' B' ' 593' ' ' LEU . 9.3 tt -50.46 -60.65 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.94 -33.31 73.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.44 -42.4 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.452 ' HD3' HD13 ' B' ' 545' ' ' LEU . 8.0 mtp85 -77.19 -34.07 56.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' B' ' 562' ' ' LEU . 0.2 OUTLIER -75.73 -26.81 57.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -48.41 -58.17 8.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.82 -42.78 3.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.552 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -51.34 -35.65 39.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.761 HD12 ' HB ' ' B' ' 582' ' ' THR . 94.0 mt -75.81 -34.41 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -56.85 -22.17 34.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.24 -32.94 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.713 ' CE ' HG21 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -116.82 -37.9 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.662 ' CE1' HG21 ' B' ' 611' ' ' VAL . 12.3 m80 -128.27 76.14 78.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -7.88 22.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.2 p -100.31 -47.56 4.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -93.75 12.11 26.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.39 -53.12 49.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.51 -52.02 30.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 580' ' ' LYS . . . . . 0.449 ' HB2' HD11 ' B' ' 614' ' ' LEU . 13.7 mmtm -62.66 -48.28 80.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.66 HG22 HD22 ' B' ' 585' ' ' LEU . 17.7 mt -54.67 -60.71 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.761 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.4 t -57.52 -32.72 67.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.33 -60.53 8.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.623 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 35.7 mtm -64.91 -45.39 86.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.66 HD22 HG22 ' B' ' 581' ' ' ILE . 6.9 mp -57.97 -30.53 66.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.574 ' HA ' HD11 ' B' ' 593' ' ' LEU . 5.3 tt -82.78 -19.49 37.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -76.92 -56.52 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.66 -62.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.24 111.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.625 ' HB3' HD13 ' B' ' 562' ' ' LEU . 90.9 m-20 -51.66 -46.38 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.77 -39.41 58.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.82 -33.38 75.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.665 HD12 HD21 ' B' ' 562' ' ' LEU . 3.1 mt -71.83 -36.31 70.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.74 -21.44 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.66 -16.32 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 4.0 tmm? -89.27 -37.09 15.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.858 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -64.94 -12.69 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.858 ' N ' HD13 ' B' ' 597' ' ' LEU . 1.4 pp20? -73.62 -8.33 55.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 22.8 t -123.31 137.46 28.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 110.935 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -59.46 -26.01 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.11 -51.4 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.57 HD11 ' HE3' ' B' ' 573' ' ' MET . 1.6 tm? -52.98 -60.04 3.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.515 ' N ' HD13 ' B' ' 603' ' ' LEU . 22.8 ttm180 -56.15 -41.55 75.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.4 t -56.28 -50.83 70.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -58.74 -53.74 54.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.713 HG21 ' CE ' ' B' ' 573' ' ' MET . 83.9 t -51.59 -51.78 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.22 -48.49 73.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 609' ' ' GLU . . . . . 0.503 ' O ' HG23 ' B' ' 613' ' ' VAL . 8.8 tp10 -57.3 -53.33 59.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.623 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.38 -60.17 3.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.662 HG21 ' CE1' ' B' ' 574' ' ' HIS . 57.4 t -50.87 -46.17 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.0 74.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.691 HG21 ' HG ' ' A' ' 69' ' ' LEU . 96.6 t -64.57 -42.58 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.449 HD11 ' HB2' ' B' ' 580' ' ' LYS . 12.9 mt -50.43 -36.95 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -53.51 -37.36 62.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -54.23 -29.56 46.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.089 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -105.3 -67.26 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -148.55 137.56 21.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -110.86 76.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt 58.98 31.8 21.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -79.27 -30.35 42.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . 59.42 52.41 5.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.821 0.344 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -142.66 141.16 31.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.2 p -80.98 -35.73 31.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -52.56 171.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.546 ' HG3' HG22 ' B' ' 613' ' ' VAL . 35.1 tt0 -51.4 150.11 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.686 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -114.51 -178.96 3.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -100.68 131.86 46.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.441 HG23 ' CD2' ' B' ' 614' ' ' LEU . 14.5 p -84.83 -12.46 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.72 -22.97 63.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.29 119.24 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.48 161.39 0.83 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.714 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HA ' ' HA3' ' B' ' 583' ' ' GLY . 53.8 Cg_endo -69.81 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -172.61 -169.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.7 t -109.74 83.09 2.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -171.04 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.387 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -119.73 63.57 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.6 p -139.47 143.89 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -98.53 -61.05 1.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.92 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -174.16 139.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -140.47 71.57 31.81 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.632 0.73 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.78 48.43 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.674 HD13 ' N ' ' B' ' 546' ' ' THR . 0.9 OUTLIER -148.39 132.46 17.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 546' ' ' THR . . . . . 0.674 ' N ' HD13 ' B' ' 545' ' ' LEU . 9.0 t -163.91 167.41 20.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -57.22 -23.7 49.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 1.9 t -80.92 -34.21 33.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 549' ' ' MET . . . . . 0.482 ' H ' HG23 ' B' ' 546' ' ' THR . 43.1 mmm -57.76 -52.07 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' B' ' 558' ' ' GLN . 4.8 mt -71.88 -21.38 61.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.62 80.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.4 t -95.69 25.67 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -127.78 160.49 60.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 111.135 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.4 Cg_endo -69.8 167.47 24.4 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 555' ' ' PRO . . . . . 0.4 ' HA ' ' HG3' ' B' ' 558' ' ' GLN . 53.5 Cg_endo -69.77 -8.19 22.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.739 2.293 . . . . 0.0 112.348 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -97.42 -44.25 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.43 -18.12 65.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.446 ' HA ' HD22 ' B' ' 550' ' ' LEU . 5.2 mt-30 -56.83 -65.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.619 ' HB2' HD21 ' B' ' 586' ' ' LEU . 25.4 pttt -58.8 -30.26 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -60.66 -66.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 561' ' ' MET . . . . . 0.402 ' HB3' HD23 ' B' ' 545' ' ' LEU . 38.1 mtm -61.53 -54.35 44.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.731 HD21 HD12 ' B' ' 593' ' ' LEU . 8.7 tt -51.25 -60.93 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.33 -31.97 67.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -64.79 -46.59 81.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.906 0.384 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.48 -31.39 57.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.459 HD13 ' HG ' ' B' ' 562' ' ' LEU . 0.3 OUTLIER -75.59 -26.92 58.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.529 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.39 -58.17 9.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.76 -41.28 4.42 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.597 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.6 OUTLIER -51.49 -37.17 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.773 HD12 ' HB ' ' B' ' 582' ' ' THR . 95.2 mt -75.47 -33.83 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -57.28 -21.09 32.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.98 -35.26 45.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.753 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.2 OUTLIER -115.18 -35.06 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.789 ' CE1' HG21 ' B' ' 611' ' ' VAL . 6.1 m80 -130.27 76.05 78.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.561 0.696 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -7.14 20.29 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.716 2.278 . . . . 0.0 112.354 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.5 p -100.14 -51.21 3.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.548 HD11 ' HB1' ' B' ' 619' ' ' ALA . 2.8 mm? -90.96 12.9 18.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.23 -54.3 32.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.51 -50.7 35.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 580' ' ' LYS . . . . . 0.484 ' NZ ' HD22 ' B' ' 614' ' ' LEU . 14.7 mmtp -63.06 -48.08 80.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.663 HG22 HD22 ' B' ' 585' ' ' LEU . 15.7 mt -55.81 -60.29 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.773 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.6 t -56.9 -33.1 66.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 583' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 75' ' ' PRO . . . -61.44 -60.7 7.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.617 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 41.8 mtm -63.08 -43.39 98.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.663 HD22 HG22 ' B' ' 581' ' ' ILE . 6.5 mp -61.59 -29.15 69.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.619 HD21 ' HB2' ' B' ' 559' ' ' LYS . 7.3 tt -81.38 -20.78 39.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' B' ' 588' ' ' ILE . 0.9 OUTLIER -77.46 -56.93 4.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.03 -62.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 175.33 113.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.648 ' HB3' HD13 ' B' ' 562' ' ' LEU . 88.3 m-20 -52.99 -45.38 67.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.91 -45.32 60.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -60.28 -39.24 86.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.731 HD12 HD21 ' B' ' 562' ' ' LEU . 3.1 mt -64.67 -37.93 89.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 10.7 mt -64.86 -14.81 60.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -109.81 -18.16 13.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 28.4 mtm -91.68 -34.26 14.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.827 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -65.03 -12.09 46.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.827 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.1 pt-20 -94.25 30.76 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 30.2 t -165.68 141.57 4.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.66 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.06 -19.43 52.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 21.2 m -91.96 -53.66 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.469 HD13 ' C ' ' B' ' 603' ' ' LEU . 2.9 tm? -56.82 -59.21 5.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -55.14 -42.71 73.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.4 t -55.13 -52.35 63.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.459 ' HB3' HD21 ' B' ' 585' ' ' LEU . 30.8 mmmt -58.73 -57.63 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.753 HG11 ' HG3' ' B' ' 573' ' ' MET . 86.6 t -50.46 -53.91 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -56.17 -47.97 77.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 609' ' ' GLU . . . . . 0.423 ' O ' HG23 ' B' ' 613' ' ' VAL . 4.1 tp10 -57.56 -54.36 47.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.617 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.28 -60.15 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.789 HG21 ' CE1' ' B' ' 574' ' ' HIS . 38.5 t -51.05 -41.25 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.79 -41.1 94.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.686 HG21 ' HG ' ' A' ' 69' ' ' LEU . 97.4 t -64.78 -43.42 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.484 HD22 ' NZ ' ' B' ' 580' ' ' LYS . 31.9 mt -55.15 -41.84 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.73 -23.43 42.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 616' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' B' ' 613' ' ' VAL . . . -66.53 -27.46 67.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -118.11 -68.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -171.68 137.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 619' ' ' ALA . . . . . 0.548 ' HB1' HD11 ' B' ' 577' ' ' LEU . . . -115.34 -75.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -117.95 29.6 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 63.26 56.5 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -136.32 -41.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.815 0.34 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -135.92 118.02 15.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -77.77 61.32 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -154.33 -176.02 5.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -50.81 129.14 22.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.696 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.2 pp -112.7 -176.61 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.487 ' ND2' ' HB2' ' A' ' 73' ' ' ALA . 31.2 p-10 -99.81 134.58 42.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.599 HG23 HD23 ' B' ' 614' ' ' LEU . 14.6 p -88.36 -19.44 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.2 -19.52 63.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.487 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . . . -51.51 117.46 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 155.81 2.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.554 0.692 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.525 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.4 Cg_endo -69.76 -90.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.304 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -172.57 -170.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.548 HG13 ' CG ' ' B' ' 560' ' ' GLN . 2.9 p -109.65 83.9 2.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 179.84 3.42 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.624 2.216 . . . . 0.0 112.39 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -113.51 25.98 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.2 t -96.58 117.93 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 40.7 p-80 -120.38 27.35 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.077 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -96.26 60.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -153.78 71.07 6.6 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.687 0.756 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 163.43 38.27 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.587 HD21 ' HD3' ' B' ' 565' ' ' ARG . 14.4 mt -91.21 177.46 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.55 141.1 30.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -56.46 -24.98 49.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 13.5 t -65.36 -44.01 89.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 44.5 mtp -52.65 -45.58 66.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.518 HD22 HD11 ' B' ' 594' ' ' LEU . 5.4 mp -81.8 -23.32 36.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.5 81.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 5.0 p -96.0 27.16 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -127.38 160.96 57.44 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.634 0.73 . . . . 0.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.1 Cg_endo -69.77 168.02 22.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -8.63 24.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -96.55 -43.94 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -61.46 -25.37 67.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.426 ' CD ' HD23 ' B' ' 550' ' ' LEU . 6.5 mt-30 -55.48 -71.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.498 ' HE2' HG12 ' A' ' 77' ' ' VAL . 14.9 ptmt -51.86 -32.84 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 560' ' ' GLN . . . . . 0.548 ' CG ' HG13 ' A' ' 77' ' ' VAL . 55.4 mt-30 -64.15 -69.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.9 mtm -56.16 -54.93 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.701 HD21 HD12 ' B' ' 593' ' ' LEU . 9.2 tt -51.59 -60.05 3.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.65 -43.34 86.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.492 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -56.51 -49.09 75.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.934 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.587 ' HD3' HD21 ' B' ' 545' ' ' LEU . 0.2 OUTLIER -72.49 -25.59 61.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.5 -27.25 58.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.519 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.16 -58.32 9.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.3 Cg_endo -69.74 -36.97 9.87 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.535 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.9 OUTLIER -52.13 -44.5 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.465 HG21 ' HB ' ' B' ' 581' ' ' ILE . 12.0 mt -75.49 -33.36 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -58.64 -19.53 39.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.22 -24.07 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.639 ' CE ' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -128.29 -38.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.701 ' CD2' HG21 ' B' ' 611' ' ' VAL . 58.9 m80 -125.98 73.7 71.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.02 19.99 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.519 ' OG1' HD22 ' B' ' 577' ' ' LEU . 11.6 p -93.86 -54.56 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.519 HD22 ' OG1' ' B' ' 576' ' ' THR . 2.5 mm? -92.84 19.15 7.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -53.36 -52.42 59.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.01 -51.15 47.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.57 -47.03 85.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.587 HG22 HD22 ' B' ' 585' ' ' LEU . 22.1 mt -57.14 -60.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.418 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.3 t -55.47 -33.92 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.12 -60.36 8.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.608 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 39.3 mtm -63.67 -42.16 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.838 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.587 HD22 HG22 ' B' ' 581' ' ' ILE . 7.5 mp -63.05 -27.24 69.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.526 ' HA ' HD11 ' B' ' 593' ' ' LEU . 2.2 tt -83.64 -20.39 33.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' B' ' 588' ' ' ILE . 15.5 tp10 -77.71 -54.56 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.459 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.36 -61.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.39 107.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.655 ' HB3' HD13 ' B' ' 562' ' ' LEU . 84.0 m-20 -51.83 -44.74 63.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -43.31 61.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -62.92 -37.5 87.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.701 HD12 HD21 ' B' ' 562' ' ' LEU . 2.2 mt -68.19 -35.67 78.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.518 HD11 HD22 ' B' ' 550' ' ' LEU . 12.7 mt -61.62 -16.46 48.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -118.22 -13.09 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 16.0 ttp -87.55 -22.0 25.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.73 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -71.08 -6.23 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.543 ' N ' HD13 ' B' ' 597' ' ' LEU . 25.1 mt-10 -93.69 -10.55 34.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.78 125.69 33.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.688 0.756 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.43 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.69 -18.16 64.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 68.8 m -83.81 -51.84 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.639 HD11 ' CE ' ' B' ' 573' ' ' MET . 8.1 tp -50.97 -62.74 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -44.29 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 12.7 t -57.01 -53.32 59.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -52.94 -54.42 35.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.493 HG21 ' CE ' ' B' ' 573' ' ' MET . 97.4 t -55.14 -50.33 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.23 -52.35 63.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.3 -53.85 48.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.608 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -50.8 -60.37 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.701 HG21 ' CD2' ' B' ' 574' ' ' HIS . 61.9 t -49.71 -42.18 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.58 91.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.696 HG21 ' HG ' ' A' ' 69' ' ' LEU . 97.9 t -63.83 -44.76 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.599 HD23 HG23 ' A' ' 71' ' ' VAL . 39.6 mt -55.56 -34.6 64.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -17.13 59.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -86.47 -30.33 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 617' ' ' HIS . . . . . 0.593 ' HB2' HG11 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -114.83 -75.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -154.72 124.05 6.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -119.3 -75.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.22 46.89 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 17.6 pm0 -56.47 -25.0 49.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . 53.92 55.72 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.65 ' N ' HG21 ' B' ' 588' ' ' ILE . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.807 0.337 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.612 ' CE2' HG22 ' B' ' 588' ' ' ILE . 0.1 OUTLIER -105.83 -63.97 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.8 p -125.21 -52.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -155.14 -74.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -94.49 163.27 13.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.689 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.1 pp -125.36 -175.38 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.457 ' ND2' ' HB2' ' A' ' 73' ' ' ALA . 7.4 p-10 -108.41 138.87 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.554 ' HB ' HG12 ' B' ' 613' ' ' VAL . 9.4 p -88.5 -10.21 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -79.09 -2.86 42.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.457 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . . . -68.3 122.46 18.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -52.18 154.79 3.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -89.84 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.313 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.488 ' HB3' HD22 ' B' ' 586' ' ' LEU . 8.3 p90 -172.44 -170.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.665 HG23 ' HG3' ' B' ' 560' ' ' GLN . 5.2 m -109.86 83.33 2.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -177.37 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -105.03 30.7 5.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -90.63 86.35 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -105.06 -29.89 10.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -133.43 42.65 2.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.776 0.322 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -163.39 68.44 1.74 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.63 161.11 47.2 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.541 HD13 ' HG3' ' B' ' 565' ' ' ARG . 10.0 tp -73.1 150.32 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 30.9 p -138.16 144.44 40.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -54.96 -26.44 36.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.05 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 1.9 t -62.91 -38.35 90.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 25.8 mmm -61.96 -28.11 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.459 ' HG ' HD11 ' B' ' 594' ' ' LEU . 2.3 mm? -88.75 -43.96 10.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.65 93.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 19.7 m -94.14 40.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -146.18 160.44 42.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.707 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.3 Cg_endo -69.83 168.22 22.29 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -8.19 22.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -97.76 -41.4 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -68.77 -23.41 64.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -51.98 -70.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.649 ' HB2' HD11 ' B' ' 586' ' ' LEU . 0.7 OUTLIER -57.16 -30.7 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 560' ' ' GLN . . . . . 0.665 ' HG3' HG23 ' A' ' 77' ' ' VAL . 19.2 mt-30 -62.13 -63.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 33.5 mtm -66.91 -56.85 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.777 HD21 HD12 ' B' ' 593' ' ' LEU . 9.7 tt -52.11 -54.19 33.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.97 -49.74 75.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.49 -39.1 75.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.541 ' HG3' HD13 ' B' ' 545' ' ' LEU . 0.0 OUTLIER -75.45 -30.69 60.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.04 -25.69 55.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.528 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.77 -57.96 10.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.707 . . . . 0.0 110.838 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.74 -42.4 3.46 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.629 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.8 OUTLIER -51.56 -36.57 45.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.696 HD12 ' HB ' ' B' ' 582' ' ' THR . 97.9 mt -76.45 -32.19 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 571' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' B' ' 567' ' ' PHE . 88.5 mt-30 -58.8 -19.62 42.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -55.58 -24.19 31.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.61 ' CE ' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -127.99 -42.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.601 ' CD2' HG21 ' B' ' 611' ' ' VAL . 37.7 m80 -123.16 75.05 50.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.71 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.64 19.1 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.547 ' OG1' HD22 ' B' ' 577' ' ' LEU . 11.2 p -96.4 -53.42 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.547 HD22 ' OG1' ' B' ' 576' ' ' THR . 2.5 mm? -91.28 16.62 9.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.94 -37.16 60.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -66.73 -53.13 29.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 580' ' ' LYS . . . . . 0.584 ' HD3' HD13 ' B' ' 614' ' ' LEU . 20.8 mtpt -63.1 -43.21 99.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.48 HG22 HD13 ' B' ' 570' ' ' ILE . 26.8 mt -59.07 -60.22 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.696 ' HB ' HD12 ' B' ' 570' ' ' ILE . 6.2 t -56.74 -32.86 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.44 -59.92 8.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.652 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 39.2 mtm -62.45 -43.87 97.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.522 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.5 mp -61.33 -30.6 70.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' B' ' 559' ' ' LYS . 6.0 tt -80.91 -19.83 43.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.3 tm-20 -77.54 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.65 HG21 ' N ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -34.37 -62.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.66 112.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.725 ' HB3' HD13 ' B' ' 562' ' ' LEU . 76.1 m-20 -52.54 -48.15 66.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.07 -41.89 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -62.24 -37.16 84.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.777 HD12 HD21 ' B' ' 562' ' ' LEU . 1.8 mt -67.81 -39.99 83.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.459 HD11 ' HG ' ' B' ' 550' ' ' LEU . 12.3 mt -56.73 -21.37 27.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.37 -23.41 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 596' ' ' MET . . . . . 0.446 ' HE3' ' HG3' ' B' ' 606' ' ' LYS . 0.0 OUTLIER -73.85 -47.14 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.881 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -63.17 -14.26 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.881 ' N ' HD13 ' B' ' 597' ' ' LEU . 70.5 mt-10 -67.79 -16.88 64.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.03 144.67 45.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.672 0.748 . . . . 0.0 110.817 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.64 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.95 -18.03 62.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.3 m -86.24 -55.13 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.61 HD11 ' CE ' ' B' ' 573' ' ' MET . 6.0 tp -52.31 -62.48 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -52.39 -42.74 64.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 13.0 t -56.25 -51.99 66.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.446 ' HG3' ' HE3' ' B' ' 596' ' ' MET . 28.9 mmmt -55.81 -54.43 44.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.547 HG21 ' CE ' ' B' ' 573' ' ' MET . 91.6 t -51.4 -48.59 33.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.91 -53.77 52.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -53.47 -53.18 55.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.652 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -50.8 -60.22 3.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.601 HG21 ' CD2' ' B' ' 574' ' ' HIS . 83.0 t -49.87 -42.15 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.3 91.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.689 HG21 ' HG ' ' A' ' 69' ' ' LEU . 70.1 t -65.69 -39.42 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.584 HD13 ' HD3' ' B' ' 580' ' ' LYS . 13.8 mt -51.45 -30.02 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -51.49 -38.72 55.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -58.43 -33.16 69.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 617' ' ' HIS . . . . . 0.526 ' HB2' HG11 ' A' ' 71' ' ' VAL . 15.5 t-80 -95.26 -72.44 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.45 147.46 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -116.58 73.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt 58.59 26.3 14.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 58.88 39.07 24.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -158.0 106.41 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.88 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.802 0.334 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -78.32 148.37 33.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.6 p -117.73 -13.58 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -143.62 -173.96 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.41 ' CD ' HG22 ' B' ' 613' ' ' VAL . 6.4 tp60 -51.03 143.92 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.694 ' HG ' HG21 ' B' ' 613' ' ' VAL . 4.0 pp -111.74 -175.03 2.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -109.92 137.24 47.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.444 ' HB ' HG12 ' B' ' 613' ' ' VAL . 11.1 p -84.34 -10.68 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -69.89 -11.29 60.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.16 122.51 14.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -51.24 157.19 1.65 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.711 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -89.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.359 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.701 ' HB3' HD22 ' B' ' 586' ' ' LEU . 7.8 p90 -172.28 -169.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.2 t -109.96 82.88 2.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 178.29 4.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -119.73 29.82 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.72 HG22 ' H ' ' A' ' 82' ' ' ALA . 14.3 p -161.69 134.36 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -107.47 26.12 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.72 ' H ' HG22 ' A' ' 80' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -118.6 43.92 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.3 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -142.9 68.76 18.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.56 0.695 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.42 2.34 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.445 HD12 ' HE2' ' B' ' 549' ' ' MET . 64.7 tp -59.83 144.45 48.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 1.1 m -146.59 144.94 29.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -62.0 -27.88 69.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 4.1 m -54.62 -36.49 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 549' ' ' MET . . . . . 0.445 ' HE2' HD12 ' B' ' 545' ' ' LEU . 16.8 mtm -60.42 -69.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.668 HD22 HD11 ' B' ' 594' ' ' LEU . 5.3 mp -56.32 -25.58 49.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.2 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 29.1 m -96.82 25.7 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -121.94 160.44 47.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.103 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.8 Cg_endo -69.75 167.67 23.75 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.746 2.297 . . . . 0.0 112.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -8.79 24.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.372 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -95.27 -45.99 6.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 557' ' ' GLU . . . . . 0.404 ' O ' ' HE2' ' B' ' 561' ' ' MET . 48.3 mt-10 -61.79 -23.29 66.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.454 ' CD ' HD23 ' B' ' 550' ' ' LEU . 5.7 mt-30 -55.36 -70.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.413 ' HB2' HD11 ' B' ' 586' ' ' LEU . 21.4 pttt -54.24 -32.52 56.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -63.86 -66.64 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 561' ' ' MET . . . . . 0.404 ' HE2' ' O ' ' B' ' 557' ' ' GLU . 45.3 mtm -60.66 -59.92 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.67 HD23 HD13 ' B' ' 566' ' ' LEU . 6.2 tt -52.38 -54.49 31.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.52 -55.99 27.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -53.6 -37.97 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.445 ' HD3' HD13 ' B' ' 545' ' ' LEU . 23.9 mtt85 -74.81 -30.18 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.67 HD13 HD23 ' B' ' 562' ' ' LEU . 1.4 mp -76.14 -25.52 55.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.79 -57.73 11.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 0.0 110.884 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.79 -40.78 4.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.732 2.288 . . . . 0.0 112.324 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.625 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.9 OUTLIER -52.89 -38.06 61.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.592 HD13 HG22 ' B' ' 581' ' ' ILE . 76.4 mt -75.36 -33.5 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 571' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' B' ' 575' ' ' PRO . 31.2 mt-30 -58.62 -19.94 43.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.83 -27.42 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.716 ' HE3' HG21 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -124.25 -39.27 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.722 ' CE1' HG21 ' B' ' 611' ' ' VAL . 6.4 m80 -125.27 73.52 67.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.696 . . . . 0.0 110.828 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 575' ' ' PRO . . . . . 0.404 ' HA ' ' HG2' ' B' ' 571' ' ' GLN . 54.1 Cg_endo -69.79 -7.22 20.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.2 p -98.68 -42.32 7.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.453 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -101.14 10.13 41.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -50.51 -31.36 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.77 -73.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -43.29 50.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.681 HD11 HG22 ' B' ' 611' ' ' VAL . 54.4 mt -54.08 -60.85 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -30.64 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.198 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.11 -60.26 8.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.618 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 33.1 mtm -64.86 -45.92 84.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.458 ' O ' HD11 ' B' ' 593' ' ' LEU . 9.7 mp -56.72 -31.76 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 76' ' ' PHE . 4.3 tt -83.33 -18.75 37.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' B' ' 588' ' ' ILE . 46.3 mm-40 -76.99 -56.24 4.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.6 OUTLIER -32.76 -61.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.87 108.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -51.49 -45.57 62.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -42.22 62.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.82 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.51 -35.53 80.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.54 HD11 ' HA ' ' B' ' 586' ' ' LEU . 2.0 mt -70.3 -35.41 73.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.668 HD11 HD22 ' B' ' 550' ' ' LEU . 16.9 mt -61.06 -16.96 49.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.42 -14.55 9.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 21.8 ttp -85.31 -22.39 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.737 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.27 -7.15 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.526 ' N ' HD13 ' B' ' 597' ' ' LEU . 17.9 mt-10 -93.03 -13.35 28.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.03 125.16 33.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.44 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -61.08 -23.85 65.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 14.3 m -83.22 -53.41 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.528 HD11 ' HE3' ' B' ' 573' ' ' MET . 2.5 tm? -51.33 -56.44 13.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -59.57 -36.88 77.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.7 t -63.96 -47.84 78.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.03 -58.71 7.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.716 HG21 ' HE3' ' B' ' 573' ' ' MET . 97.8 t -51.54 -51.38 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.87 -52.76 63.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 609' ' ' GLU . . . . . 0.411 ' O ' HG23 ' B' ' 613' ' ' VAL . 17.3 tp10 -54.18 -52.37 61.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.618 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.58 -59.85 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.722 HG21 ' CE1' ' B' ' 574' ' ' HIS . 39.4 t -50.78 -45.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -55.64 -43.31 76.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.694 HG21 ' HG ' ' A' ' 69' ' ' LEU . 95.8 t -63.11 -42.02 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 10.2 mt -51.23 -30.84 18.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.79 -33.99 57.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.98 73.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -99.67 -74.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -151.64 135.45 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -120.7 75.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 2.5 tttp 56.1 30.26 16.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -77.55 -33.3 54.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -101.57 -50.35 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.067 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.739 ' HB2' ' HG2' ' B' ' 592' ' ' GLU . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.829 0.347 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.607 ' CE1' HG22 ' B' ' 588' ' ' ILE . 21.6 p90 -119.0 116.96 27.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -99.1 -15.45 18.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -50.91 -67.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -154.88 139.72 17.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.593 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -125.3 -176.49 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -102.38 138.12 39.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.571 HG23 ' CD2' ' B' ' 614' ' ' LEU . 6.8 p -88.33 -22.18 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -71.0 -15.84 62.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.64 117.92 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 160.24 1.04 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.42 ' HA ' ' HA3' ' B' ' 583' ' ' GLY . 53.9 Cg_endo -69.78 -90.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -172.69 -178.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 77' ' ' VAL . 2.6 p -109.09 87.29 4.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 177.63 5.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -122.87 28.0 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.0 t -112.97 140.6 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -112.04 -34.02 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -175.89 132.16 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -151.36 69.62 8.14 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.651 0.739 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 159.24 54.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.439 HD11 ' CB ' ' B' ' 565' ' ' ARG . 11.3 mt -58.4 178.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 2.9 t -162.31 129.06 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -51.38 -30.19 18.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 20.6 p -56.61 -38.87 72.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 9.0 mmm -52.92 -72.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.456 HD22 HD11 ' B' ' 594' ' ' LEU . 5.3 mp -52.22 -31.78 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.79 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 15.4 t -95.4 23.09 6.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.596 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -122.89 160.59 48.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.681 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.596 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.79 167.54 24.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.76 24.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -92.01 -53.78 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -56.37 -25.19 48.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.444 ' OE1' HD23 ' B' ' 550' ' ' LEU . 3.9 mt-30 -51.82 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.441 ' HB2' HD11 ' B' ' 586' ' ' LEU . 9.0 ptpp? -51.39 -30.26 18.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -63.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 42.3 mtm -65.58 -55.52 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.706 HD13 ' OD1' ' B' ' 590' ' ' ASN . 4.6 tt -52.25 -54.62 28.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.04 -57.77 18.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -52.27 -38.82 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.359 . . . . 0.0 110.92 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.439 ' CB ' HD11 ' B' ' 545' ' ' LEU . 8.4 mmm180 -73.51 -30.85 63.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.664 HD13 HD23 ' B' ' 562' ' ' LEU . 1.4 mp -75.68 -24.52 56.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.514 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.0 -58.88 8.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.734 . . . . 0.0 110.849 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.73 -40.7 5.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.547 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.5 OUTLIER -51.66 -40.8 60.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.459 HG21 ' HB ' ' B' ' 581' ' ' ILE . 10.8 mt -75.73 -34.09 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 571' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' B' ' 575' ' ' PRO . 31.7 mt-30 -56.61 -20.51 21.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.49 -29.57 36.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.48 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -124.23 -37.91 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.725 ' CE1' HG11 ' B' ' 611' ' ' VAL . 53.9 m-70 -124.08 75.07 58.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 575' ' ' PRO . . . . . 0.401 ' HA ' ' HG2' ' B' ' 571' ' ' GLN . 53.5 Cg_endo -69.83 -7.1 20.21 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.22 -43.52 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.45 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -96.8 18.57 14.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.2 -55.84 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -51.69 -50.33 43.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.437 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 580' ' ' LYS . . . . . 0.6 ' HB3' HD11 ' B' ' 614' ' ' LEU . 6.1 mmtm -62.05 -48.44 80.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.641 HD11 HG22 ' B' ' 611' ' ' VAL . 25.3 mt -57.98 -61.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 7.7 t -53.42 -34.27 57.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 583' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 75' ' ' PRO . . . -62.02 -59.72 9.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.665 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 43.5 mtm -65.14 -42.57 93.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.549 HD22 HG22 ' B' ' 581' ' ' ILE . 9.8 mp -61.21 -30.08 70.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.598 ' HA ' HD11 ' B' ' 593' ' ' LEU . 5.2 tt -82.71 -19.23 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' B' ' 588' ' ' ILE . 8.0 tp10 -77.21 -56.4 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.607 HG22 ' CE1' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -33.59 -62.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.62 110.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.706 ' OD1' HD13 ' B' ' 562' ' ' LEU . 37.1 m-20 -51.95 -42.69 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.14 -39.49 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.739 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 11.8 tp10 -67.42 -33.45 75.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.598 HD11 ' HA ' ' B' ' 586' ' ' LEU . 3.1 mt -70.99 -36.97 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.456 HD11 HD22 ' B' ' 550' ' ' LEU . 12.4 mt -63.87 -15.89 60.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -114.64 -16.36 11.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 596' ' ' MET . . . . . 0.455 ' HE3' ' HA ' ' B' ' 593' ' ' LEU . 4.9 tmm? -91.64 -31.85 15.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.833 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -65.04 -12.17 47.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.833 ' N ' HD13 ' B' ' 597' ' ' LEU . 1.2 pt-20 -94.95 31.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 16.9 t -152.16 134.51 8.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.711 0.767 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.624 2.216 . . . . 0.0 112.366 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.28 -24.77 66.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -43.75 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.466 HD13 ' C ' ' B' ' 603' ' ' LEU . 2.8 tm? -61.53 -56.92 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -35.21 73.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 11.6 t -62.22 -52.63 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -60.02 -58.1 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.555 ' O ' HG23 ' B' ' 611' ' ' VAL . 78.5 t -51.51 -52.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.71 -48.51 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -56.54 -54.34 46.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.665 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.03 -60.12 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.725 HG11 ' CE1' ' B' ' 574' ' ' HIS . 38.3 t -51.34 -39.45 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.41 99.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.593 HG21 ' HG ' ' A' ' 69' ' ' LEU . 88.1 t -64.68 -39.71 86.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' B' ' 580' ' ' LYS . 36.8 mt -52.84 -30.32 32.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -56.63 -24.69 49.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -75.83 -23.45 55.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 617' ' ' HIS . . . . . 0.457 ' HB2' HG11 ' A' ' 71' ' ' VAL . 45.2 t-80 -98.69 -36.19 9.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 59.02 74.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -99.35 -75.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -57.1 -26.13 59.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 61.9 33.69 17.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -72.61 88.93 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.582 ' HB2' ' CD ' ' B' ' 592' ' ' GLU . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.787 0.327 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -112.78 115.82 29.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 p -61.85 -30.44 70.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -53.55 173.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -51.57 145.3 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.655 ' CD1' HG21 ' B' ' 613' ' ' VAL . 2.5 pp -121.9 169.88 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -87.33 137.34 32.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.8 p -92.6 -22.22 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -70.03 -10.95 60.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.6 118.72 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -51.87 137.81 34.65 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.538 0.685 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.701 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.8 Cg_endo -69.73 -89.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -171.61 -173.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.794 HG23 ' HG2' ' B' ' 560' ' ' GLN . 5.0 m -109.48 85.35 3.61 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 179.34 3.82 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -103.26 39.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.4 m -149.18 148.26 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -74.26 -53.41 9.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.908 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -170.51 136.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.733 0.302 . . . . 0.0 110.962 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -146.77 71.06 12.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.633 0.73 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 142.78 48.69 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.727 HD11 ' CB ' ' B' ' 565' ' ' ARG . 0.6 OUTLIER -68.18 -166.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 9.2 t -147.94 166.25 28.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 547' ' ' ALA . . . . . 0.472 ' HA ' HD13 ' B' ' 594' ' ' LEU . . . -59.03 -21.12 58.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.072 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 548' ' ' SER . . . . . 0.519 ' O ' ' HB3' ' B' ' 551' ' ' ALA . 14.5 m -58.22 -45.05 88.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -51.57 -53.18 40.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.644 HD22 ' HA ' ' B' ' 558' ' ' GLN . 5.1 mt -77.32 -11.72 59.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 551' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' B' ' 548' ' ' SER . . . -62.37 -52.51 63.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 18.5 t -95.8 33.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -132.9 160.34 68.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 111.082 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.81 167.85 23.31 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.388 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -96.86 -42.9 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 557' ' ' GLU . . . . . 0.433 ' HB3' ' HE2' ' B' ' 561' ' ' MET . 40.8 mt-10 -64.19 -22.53 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.644 ' HA ' HD22 ' B' ' 550' ' ' LEU . 6.3 mt-30 -54.58 -64.16 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.632 ' HB2' HD21 ' B' ' 586' ' ' LEU . 18.5 ptpt -59.04 -33.98 71.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 560' ' ' GLN . . . . . 0.794 ' HG2' HG23 ' A' ' 77' ' ' VAL . 23.4 mt-30 -63.11 -65.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 561' ' ' MET . . . . . 0.433 ' HE2' ' HB3' ' B' ' 557' ' ' GLU . 54.7 mtm -58.63 -57.58 12.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.7 HD21 HD12 ' B' ' 593' ' ' LEU . 9.2 tt -50.45 -60.67 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.17 -39.74 81.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.52 -47.64 83.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.727 ' CB ' HD11 ' B' ' 545' ' ' LEU . 1.8 mpt_? -75.03 -26.15 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -26.72 57.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.19 -58.19 10.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.881 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.75 -40.17 5.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.764 2.309 . . . . 0.0 112.324 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.566 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -53.87 -37.18 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.615 HD13 HG22 ' B' ' 581' ' ' ILE . 94.7 mt -75.41 -34.39 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -58.06 -20.41 39.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.67 -30.27 21.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.758 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -122.64 -37.4 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.763 ' CE1' HG21 ' B' ' 611' ' ' VAL . 3.4 m80 -125.89 73.84 70.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.723 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -7.81 22.01 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.65 2.234 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.4 p -95.15 -56.68 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.452 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.61 11.76 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 578' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.02 -33.78 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.91 -72.46 0.66 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 580' ' ' LYS . . . . . 0.456 ' HG2' HD22 ' B' ' 614' ' ' LEU . 1.0 OUTLIER -49.36 -41.12 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 110.932 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.615 HG22 HD13 ' B' ' 570' ' ' ILE . 51.2 mt -55.01 -60.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -30.41 66.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.17 -60.16 7.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.75 ' HE1' ' HB1' ' B' ' 610' ' ' ALA . 34.2 mtm -62.68 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.512 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.6 mp -61.75 -30.63 70.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 75' ' ' PRO . 8.3 tt -81.4 -19.68 42.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -77.34 -57.59 3.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.4 OUTLIER -33.92 -62.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.86 112.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.639 ' HB3' HD13 ' B' ' 562' ' ' LEU . 74.6 m-20 -51.71 -48.82 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -41.67 59.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.582 ' CD ' ' HB2' ' A' ' 64' ' ' ALA . 4.2 tt0 -62.6 -34.75 77.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.7 HD12 HD21 ' B' ' 562' ' ' LEU . 1.9 mt -70.74 -38.89 73.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' B' ' 547' ' ' ALA . 27.3 mt -60.86 -18.14 54.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -108.87 -24.56 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 11.6 mtm -77.47 -42.23 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.869 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -62.35 -14.84 44.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.869 ' N ' HD13 ' B' ' 597' ' ' LEU . 57.1 mt-10 -69.35 -25.77 64.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.35 147.58 50.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.747 . . . . 0.0 110.83 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -44.2 2.2 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.701 2.268 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -56.9 -23.63 46.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.5 m -90.31 -53.86 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.471 HD13 ' C ' ' B' ' 603' ' ' LEU . 2.6 tm? -56.02 -61.39 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -52.57 -46.41 66.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.6 t -52.07 -51.72 55.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -57.67 -56.65 19.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.758 HG11 ' HG3' ' B' ' 573' ' ' MET . 88.5 t -50.37 -52.1 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -57.2 -55.29 36.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -52.33 -53.01 49.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.75 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -51.01 -60.27 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.763 HG21 ' CE1' ' B' ' 574' ' ' HIS . 42.3 t -50.21 -39.62 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.33 98.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.655 HG21 ' CD1' ' A' ' 69' ' ' LEU . 76.5 t -63.97 -42.2 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.656 HD21 ' CE ' ' B' ' 584' ' ' MET . 7.6 mt -51.12 -31.48 19.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -52.77 -29.04 25.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -68.42 -35.01 77.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.19 -74.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -151.95 131.17 12.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -122.76 61.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt 54.02 29.53 10.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -102.97 35.49 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -102.8 90.88 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.514 ' HB2' ' HG2' ' B' ' 592' ' ' GLU . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.832 0.349 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -129.99 130.43 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 m -108.27 -13.82 14.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.4 ptt-85 -51.34 -47.53 62.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -179.47 140.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.691 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -129.88 -176.2 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.633 ' OD1' ' HB2' ' A' ' 73' ' ' ALA . 29.8 p-10 -100.61 135.74 41.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.528 ' HB ' HG12 ' B' ' 613' ' ' VAL . 13.2 p -83.62 -25.07 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -78.25 -3.96 45.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.633 ' HB2' ' OD1' ' A' ' 70' ' ' ASN . . . -52.48 130.56 32.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -49.92 138.72 18.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.478 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.6 Cg_endo -69.84 -89.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.555 ' HB3' HD13 ' B' ' 586' ' ' LEU . 11.1 p90 -172.02 -169.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.612 HG23 ' CE ' ' B' ' 559' ' ' LYS . 97.7 t -109.89 82.92 2.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.6 0.714 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -179.59 3.03 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.237 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.96 33.77 5.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.5 t -99.25 95.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -77.63 -34.6 53.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.45 172.05 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 53.45 72.84 1.04 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.11 15.07 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.44 HD22 ' HG2' ' B' ' 565' ' ' ARG . 6.6 tp -89.66 147.34 23.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 13.1 t -169.47 169.96 8.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 547' ' ' ALA . . . . . 0.442 ' HA ' HD13 ' B' ' 594' ' ' LEU . . . -56.26 -34.25 66.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 54.2 m -57.52 -26.84 61.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 4.2 mmt -62.3 -55.97 23.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' B' ' 558' ' ' GLN . 6.3 mt -77.64 -24.0 49.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.38 60.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 1.2 t -95.19 39.32 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -141.44 160.37 57.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.718 . . . . 0.0 111.083 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.8 Cg_endo -69.8 168.02 22.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.636 2.224 . . . . 0.0 112.348 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -8.77 24.45 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -96.63 -42.71 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.89 -22.49 66.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.474 ' HA ' HD22 ' B' ' 550' ' ' LEU . 4.2 mt-30 -54.37 -72.25 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.612 ' CE ' HG23 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -53.85 -30.74 46.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -64.58 -67.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 50.8 mtm -57.72 -53.42 58.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.67 HD21 HD12 ' B' ' 593' ' ' LEU . 10.1 tt -52.64 -60.14 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.54 -47.03 79.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.41 -48.32 68.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.44 ' HG2' HD22 ' B' ' 545' ' ' LEU . 11.4 tpt85 -71.29 -27.23 63.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.5 -24.8 56.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.508 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.47 -58.94 7.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.908 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.78 -38.48 7.69 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.557 ' O ' HD13 ' B' ' 569' ' ' LEU . 1.0 OUTLIER -51.44 -43.07 61.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.484 HD12 ' HB ' ' B' ' 582' ' ' THR . 19.7 mt -75.83 -34.05 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 571' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' B' ' 575' ' ' PRO . 65.3 mt-30 -57.39 -19.85 25.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.0 -27.05 17.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.486 ' HE3' HG21 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -127.87 -42.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.647 ' CD2' HG21 ' B' ' 611' ' ' VAL . 56.3 m80 -119.37 74.22 15.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 575' ' ' PRO . . . . . 0.4 ' HA ' ' HG2' ' B' ' 571' ' ' GLN . 53.7 Cg_endo -69.8 -7.29 20.69 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 3.2 p -95.01 -53.31 3.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.462 ' HG ' HD12 ' B' ' 614' ' ' LEU . 2.7 mm? -92.49 19.27 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.47 -45.11 73.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -60.46 -50.82 63.38 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 580' ' ' LYS . . . . . 0.565 ' HD3' HD22 ' B' ' 614' ' ' LEU . 23.8 mttp -62.85 -44.26 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.716 0.293 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.531 HG22 HD22 ' B' ' 585' ' ' LEU . 25.0 mt -58.99 -60.94 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.484 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.2 t -55.28 -34.02 63.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.49 -59.86 9.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.674 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 42.7 mtm -61.89 -45.81 92.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.54 ' O ' HD21 ' B' ' 593' ' ' LEU . 6.9 mp -60.12 -29.4 68.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.576 ' HA ' HD11 ' B' ' 593' ' ' LEU . 8.8 tt -81.22 -20.26 41.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -77.58 -57.22 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -34.05 -62.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.27 113.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.556 ' HB3' HD13 ' B' ' 562' ' ' LEU . 77.6 m-20 -52.72 -45.46 66.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.4 t -50.91 -44.95 60.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 29.0 tp10 -60.62 -38.7 85.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.67 HD12 HD21 ' B' ' 562' ' ' LEU . 2.7 mt -65.61 -37.42 86.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' B' ' 547' ' ' ALA . 18.0 mt -64.31 -15.26 59.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -110.45 -18.36 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 29.5 mtm -90.79 -34.03 15.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.819 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -65.01 -12.01 45.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.972 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.819 ' N ' HD13 ' B' ' 597' ' ' LEU . 0.2 OUTLIER -94.17 30.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.64 141.63 6.88 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.686 0.755 . . . . 0.0 110.859 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.16 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.347 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.3 -21.57 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.3 m -85.72 -56.31 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.418 ' O ' HG23 ' B' ' 607' ' ' VAL . 13.0 tp -54.94 -54.41 43.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -57.57 -45.34 85.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.3 t -55.55 -55.28 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.44 ' HB3' HD21 ' B' ' 585' ' ' LEU . 31.1 mmmt -55.33 -59.1 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.558 ' O ' HG23 ' B' ' 611' ' ' VAL . 99.6 t -50.51 -52.36 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -56.29 -56.94 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -51.74 -53.72 36.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.674 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -50.27 -60.09 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.647 HG21 ' CD2' ' B' ' 574' ' ' HIS . 62.7 t -50.53 -38.86 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.13 99.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.691 HG21 ' HG ' ' A' ' 69' ' ' LEU . 72.2 t -63.1 -41.93 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.565 HD22 ' HD3' ' B' ' 580' ' ' LYS . 16.1 mt -50.97 -31.07 16.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -52.7 -30.64 33.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -65.22 -36.02 82.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -97.88 -73.69 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -156.89 145.0 19.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -133.67 65.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 52.26 30.2 7.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -92.99 79.57 4.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -172.98 138.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.823 0.344 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -113.19 175.69 5.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.8 t -105.84 -45.45 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -56.99 179.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -56.71 179.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.677 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.6 pp -132.56 -175.89 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -110.0 138.52 46.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.496 ' HB ' HG12 ' B' ' 613' ' ' VAL . 9.6 p -88.22 -7.6 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -76.36 -12.42 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.468 ' HB1' ' HG3' ' B' ' 587' ' ' GLU . . . -61.17 117.13 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -51.51 156.86 1.98 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.663 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.8 Cg_endo -69.74 -90.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -172.52 -168.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.5 m -109.98 82.32 2.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -176.79 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -133.0 31.27 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.7 m -122.95 169.83 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -67.97 -35.28 78.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -121.76 47.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.919 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -153.94 72.64 6.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 148.17 64.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 14.3 tp -87.52 144.98 26.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 546' ' ' THR . . . . . 0.411 HG22 ' H ' ' B' ' 547' ' ' ALA . 0.2 OUTLIER -155.54 167.69 29.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 547' ' ' ALA . . . . . 0.627 ' HA ' HD13 ' B' ' 594' ' ' LEU . . . -61.88 -26.17 67.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.078 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 16.9 m -52.4 -39.2 60.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 12.5 mtt -62.39 -39.68 94.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.645 HD22 HD11 ' B' ' 594' ' ' LEU . 10.1 mp -96.87 28.74 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.89 -49.03 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 4.5 m -101.96 29.34 5.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -124.52 160.43 53.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.71 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.0 Cg_endo -69.78 167.72 23.65 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.642 2.228 . . . . 0.0 112.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -10.18 27.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -94.72 -44.42 7.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -61.22 -24.77 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -55.38 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.51 ' HB2' HD11 ' B' ' 586' ' ' LEU . 15.0 ptpt -53.58 -34.63 59.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -63.47 -66.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.1 mtm -58.27 -58.15 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' B' ' 590' ' ' ASN . 10.2 tt -52.38 -60.01 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.22 -47.95 60.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -54.19 -44.78 71.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 7.3 mmt-85 -73.97 -26.63 60.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.62 -26.67 57.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.51 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -48.92 -58.66 7.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.66 -39.71 6.37 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.734 2.29 . . . . 0.0 112.351 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.492 HD13 ' C ' ' B' ' 569' ' ' LEU . 3.5 tm? -51.72 -40.36 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 22.0 mt -75.27 -33.32 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -58.36 -20.18 41.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.32 -31.33 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.612 ' HE3' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -120.61 -26.67 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.588 ' NE2' HG21 ' B' ' 611' ' ' VAL . 4.8 m80 -137.47 72.65 50.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.39 20.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.3 p -95.91 -57.42 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.454 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.43 12.58 18.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 578' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.31 -32.34 10.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.84 -74.69 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.3 -42.36 30.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.57 HD11 HG22 ' B' ' 611' ' ' VAL . 60.4 mt -55.0 -60.01 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -31.84 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.24 -58.95 9.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.681 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 32.6 mtm -64.82 -42.12 95.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.5 ' O ' HD11 ' B' ' 593' ' ' LEU . 9.6 mp -61.24 -30.44 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 75' ' ' PRO . 2.3 tt -83.11 -18.95 37.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.468 ' HG3' ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -76.99 -55.86 5.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.0 -61.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 174.78 104.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.606 ' HB3' HD13 ' B' ' 562' ' ' LEU . 70.9 m-20 -51.62 -42.58 62.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -37.2 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.86 -32.57 71.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' B' ' 586' ' ' LEU . 2.5 mt -72.99 -33.96 66.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.645 HD11 HD22 ' B' ' 550' ' ' LEU . 12.1 mt -62.83 -16.77 59.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -118.7 -16.0 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 5.6 tmm? -88.82 -18.67 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.737 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.73 -7.19 37.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.549 ' N ' HD13 ' B' ' 597' ' ' LEU . 16.7 mt-10 -93.04 -13.42 28.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.83 125.34 42.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.868 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -48.09 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 0.0 112.345 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -67.35 -18.86 65.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 70.0 m -83.66 -53.59 5.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.612 HD11 ' HE3' ' B' ' 573' ' ' MET . 7.5 tp -51.17 -62.22 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -53.94 -40.41 66.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 16.9 t -60.05 -53.04 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -54.81 -56.33 20.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.591 HG11 ' HG3' ' B' ' 573' ' ' MET . 94.5 t -51.79 -44.44 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.15 -56.99 15.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 609' ' ' GLU . . . . . 0.442 ' O ' HG23 ' B' ' 613' ' ' VAL . 1.6 mp0 -51.8 -50.1 61.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.681 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -52.86 -59.68 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.588 HG21 ' NE2' ' B' ' 574' ' ' HIS . 97.6 t -49.97 -41.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.4 96.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.677 HG21 ' HG ' ' A' ' 69' ' ' LEU . 96.0 t -65.58 -37.42 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.585 HD21 ' CE ' ' B' ' 584' ' ' MET . 18.6 mt -50.79 -30.86 15.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -51.71 -30.37 21.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -66.89 -36.9 83.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 617' ' ' HIS . . . . . 0.48 ' HB2' HG11 ' A' ' 71' ' ' VAL . 73.1 t60 -98.48 -74.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -149.93 137.86 20.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -109.54 77.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.88 28.64 10.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -106.37 42.72 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -120.53 -46.13 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.939 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.566 ' HB2' ' HG2' ' B' ' 592' ' ' GLU . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.803 0.335 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -120.35 126.89 51.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.2 p -66.71 -38.78 87.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -51.69 168.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -51.61 159.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.688 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -117.81 -176.07 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -102.36 137.01 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.554 ' HB ' HG12 ' B' ' 613' ' ' VAL . 7.9 p -90.8 -20.85 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -71.06 -12.98 61.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.578 ' HB1' ' OE1' ' B' ' 587' ' ' GLU . . . -56.1 121.82 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -51.65 161.02 0.92 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.555 0.693 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -88.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -172.1 -169.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.582 HG23 ' HD2' ' B' ' 559' ' ' LYS . 97.6 t -109.99 82.43 2.47 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.608 0.718 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.569 ' HG2' HG12 ' A' ' 80' ' ' VAL . 54.8 Cg_endo -69.73 -171.04 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.6 p30 -76.41 67.33 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.569 HG12 ' HG2' ' A' ' 78' ' ' PRO . 12.7 p -168.25 136.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -92.75 -51.14 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.036 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -136.64 -169.91 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.3 . . . . 0.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 59.63 73.57 0.65 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.684 0.754 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 168.28 21.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.82 -175.68 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 546' ' ' THR . . . . . 0.44 HG22 ' O ' ' B' ' 546' ' ' THR . 5.8 m -129.12 2.45 5.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . 65.63 13.11 8.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 4.4 t -118.94 -33.43 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 2.8 mtm -51.99 -41.85 62.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.99 -30.35 71.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.35 73.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.8 m -96.26 33.65 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -130.2 160.22 66.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 111.061 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.73 167.7 23.64 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -9.72 26.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -95.25 -43.32 8.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.37 -25.1 67.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.11 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.582 ' HD2' HG23 ' A' ' 77' ' ' VAL . 18.7 pttt -51.87 -30.84 25.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.6 -65.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 49.0 mtm -61.42 -57.46 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.635 HD21 HD12 ' B' ' 593' ' ' LEU . 9.6 tt -51.53 -58.41 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.01 -37.12 77.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.95 -41.02 95.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -76.53 -33.56 58.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.3 mp -75.97 -26.18 56.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -48.87 -57.96 9.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 0.0 110.842 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.3 Cg_endo -69.77 -42.44 3.39 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.73 2.286 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.58 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.5 OUTLIER -51.87 -35.38 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.759 HD12 ' HB ' ' B' ' 582' ' ' THR . 95.9 mt -75.72 -33.22 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.99 -20.21 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -54.09 -32.18 54.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.709 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.1 OUTLIER -118.96 -30.83 4.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.718 ' CE1' HG11 ' B' ' 611' ' ' VAL . 21.7 m-70 -135.16 75.47 59.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.89 22.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.661 HG21 ' HE3' ' B' ' 620' ' ' LYS . 1.2 p -99.81 -50.15 4.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.471 ' HG ' HG13 ' B' ' 611' ' ' VAL . 2.8 mm? -91.82 15.14 13.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.08 -55.23 29.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.63 -50.09 37.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 580' ' ' LYS . . . . . 0.52 ' HB2' HD11 ' B' ' 614' ' ' LEU . 31.7 mmmt -63.33 -47.72 81.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.624 HD11 HG22 ' B' ' 611' ' ' VAL . 24.2 mt -57.56 -61.09 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.759 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.7 t -54.09 -34.71 60.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.14 -59.86 9.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.68 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 39.9 mtm -65.1 -42.99 93.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.576 HD22 HG22 ' B' ' 581' ' ' ILE . 9.9 mp -61.85 -27.38 68.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.59 ' HA ' HD11 ' B' ' 593' ' ' LEU . 6.1 tt -83.3 -21.44 33.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.578 ' OE1' ' HB1' ' A' ' 73' ' ' ALA . 7.9 tt0 -77.12 -54.94 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.4 OUTLIER -33.69 -61.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.78 109.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.563 ' OD1' HD22 ' B' ' 562' ' ' LEU . 71.8 m-20 -52.12 -43.85 64.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.5 -39.34 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.566 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.9 tp10 -65.61 -34.85 79.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.635 HD12 HD21 ' B' ' 562' ' ' LEU . 1.7 mt -71.09 -39.53 72.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.08 -16.74 47.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -116.48 -12.74 10.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -82.77 -29.39 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.719 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.63 -5.99 28.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.55 ' N ' HD13 ' B' ' 597' ' ' LEU . 21.8 mt-10 -83.88 2.39 38.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.5 t -140.65 132.46 14.13 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.67 0.748 . . . . 0.0 110.839 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.06 -21.72 59.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 50.1 m -86.25 -53.26 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.461 HD13 ' C ' ' B' ' 603' ' ' LEU . 2.4 tm? -52.62 -57.76 8.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -59.54 -35.75 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -51.57 69.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -62.95 -51.59 66.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.709 HG11 ' HG3' ' B' ' 573' ' ' MET . 94.1 t -52.28 -52.91 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.97 -51.6 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 609' ' ' GLU . . . . . 0.421 ' O ' HG23 ' B' ' 613' ' ' VAL . 15.2 mm-40 -55.42 -52.29 64.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.68 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.83 -59.92 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.718 HG11 ' CE1' ' B' ' 574' ' ' HIS . 40.7 t -50.83 -41.97 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.11 94.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.688 HG21 ' HG ' ' A' ' 69' ' ' LEU . 84.1 t -63.7 -39.26 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.52 HD11 ' HB2' ' B' ' 580' ' ' LYS . 45.8 mt -51.1 -35.44 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -52.67 -30.76 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -62.42 -32.31 73.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -103.39 -68.39 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -144.51 123.78 13.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -53.49 -72.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 620' ' ' LYS . . . . . 0.661 ' HE3' HG21 ' B' ' 576' ' ' THR . 34.9 tttt -112.65 -22.77 10.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -83.62 55.74 3.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -101.7 88.06 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.811 0.338 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -145.42 -176.47 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.9 t -116.14 -43.16 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -60.7 -175.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -53.96 173.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.692 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.5 pp -127.69 -176.34 3.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -103.53 135.54 44.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.562 ' HB ' HG12 ' B' ' 613' ' ' VAL . 10.7 p -87.06 -18.43 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -70.1 -20.41 63.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.56 123.98 11.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -52.02 160.43 1.18 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -89.02 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.361 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CB ' HD13 ' B' ' 586' ' ' LEU . 10.6 p90 -172.06 -168.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.515 HG23 ' CE ' ' B' ' 559' ' ' LYS . 84.3 t -94.54 107.91 33.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.655 0.74 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 77' ' ' VAL . 53.6 Cg_endo -69.7 -170.41 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -91.89 45.85 1.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.3 m -146.15 153.96 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -88.97 -34.31 16.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.6 -177.31 4.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 110.919 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 59.85 72.46 0.77 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.739 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 168.24 22.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.415 HD12 ' HE2' ' B' ' 549' ' ' MET . 22.5 tp -96.44 149.64 21.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 10.2 t -165.78 160.5 17.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.37 66.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 1.8 t -52.21 -49.17 64.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 549' ' ' MET . . . . . 0.415 ' HE2' HD12 ' B' ' 545' ' ' LEU . 6.4 mtm -57.34 -35.45 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 7.7 mp -96.06 26.48 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -109.3 -25.23 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 6.2 t -125.97 31.36 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -129.46 160.36 64.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 111.1 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.4 Cg_endo -69.79 169.28 19.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 556' ' ' GLN . . . . . 0.4 ' HG2' ' HB2' ' B' ' 554' ' ' PRO . 8.2 pt20 -95.27 -42.17 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.31 -16.86 63.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.51 -70.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.645 ' HB2' HD21 ' B' ' 586' ' ' LEU . 0.8 OUTLIER -55.31 -29.77 58.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.52 -65.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 57.3 mtm -60.09 -52.94 63.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.659 HD21 HD12 ' B' ' 593' ' ' LEU . 9.4 tt -51.42 -60.27 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.93 -31.62 72.8 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.432 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -67.21 -43.35 82.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -76.77 -33.87 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.82 -26.61 57.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -48.51 -58.0 9.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.672 0.749 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.76 -41.86 3.9 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.606 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.7 OUTLIER -51.41 -36.11 42.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.724 HD12 ' HB ' ' B' ' 582' ' ' THR . 96.4 mt -75.52 -33.78 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.1 -21.36 31.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.979 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -50.87 -31.86 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.761 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -120.29 -36.07 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.793 ' CE1' HG21 ' B' ' 611' ' ' VAL . 6.9 m80 -128.41 75.44 79.24 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -7.77 21.93 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.441 HG21 ' HE3' ' B' ' 620' ' ' LYS . 1.3 p -99.93 -50.08 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.458 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -91.11 13.05 18.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.62 -54.09 37.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.86 -50.14 39.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 580' ' ' LYS . . . . . 0.562 ' HB2' HD11 ' B' ' 614' ' ' LEU . 10.5 mmmm -63.48 -47.29 82.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.725 0.297 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.535 HG22 HD13 ' B' ' 570' ' ' ILE . 16.3 mt -56.91 -60.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.724 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.8 t -56.87 -34.12 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.97 -59.62 9.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.656 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 41.6 mtm -62.27 -46.37 89.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.826 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.558 HD21 ' HB3' ' B' ' 606' ' ' LYS . 7.6 mp -59.49 -29.34 67.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.645 HD21 ' HB2' ' B' ' 559' ' ' LYS . 8.7 tt -81.44 -20.88 39.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' B' ' 588' ' ' ILE . 4.2 tm-20 -77.86 -56.86 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -33.62 -62.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.14 113.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.527 ' HB3' HD13 ' B' ' 562' ' ' LEU . 99.4 m-20 -53.17 -46.16 68.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.11 -45.12 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -60.54 -40.43 91.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.659 HD12 HD21 ' B' ' 562' ' ' LEU . 3.2 mt -63.3 -37.96 89.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.39 -15.15 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -110.39 -17.25 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 29.4 mtm -91.84 -34.51 14.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.82 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -64.69 -12.51 47.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.82 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.5 pt-20 -94.16 30.76 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.31 137.79 9.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 110.91 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -48.96 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.747 2.298 . . . . 0.0 112.339 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -64.19 -15.82 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 71.2 m -90.42 -48.97 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.481 HD13 ' C ' ' B' ' 603' ' ' LEU . 3.2 tm? -53.49 -63.94 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -54.65 -43.86 72.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.5 t -53.16 -52.91 57.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 606' ' ' LYS . . . . . 0.558 ' HB3' HD21 ' B' ' 585' ' ' LEU . 30.8 mmmt -59.29 -57.58 12.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.761 HG11 ' HG3' ' B' ' 573' ' ' MET . 92.4 t -50.05 -53.24 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -56.3 -53.63 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 609' ' ' GLU . . . . . 0.424 ' O ' HG23 ' B' ' 613' ' ' VAL . 14.3 tt0 -52.39 -53.23 47.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.656 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -52.02 -60.28 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.793 HG21 ' CE1' ' B' ' 574' ' ' HIS . 38.0 t -50.78 -37.16 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.29 93.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.692 HG21 ' HG ' ' A' ' 69' ' ' LEU . 89.2 t -65.15 -41.31 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' B' ' 580' ' ' LYS . 35.9 mt -51.24 -31.09 19.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -52.31 -29.55 23.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -67.96 -35.81 79.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -99.43 -74.9 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -145.01 119.11 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -97.89 50.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 620' ' ' LYS . . . . . 0.441 ' HE3' HG21 ' B' ' 576' ' ' THR . 2.6 tmtt? 52.05 51.09 17.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -120.68 83.14 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -136.11 122.39 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.822 0.344 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -149.6 135.52 18.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.2 p -125.55 35.98 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.75 -74.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -163.14 148.46 11.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.685 ' HG ' HG21 ' B' ' 613' ' ' VAL . 4.2 pp -110.49 -174.74 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -111.07 135.69 51.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.551 HG11 ' HB2' ' B' ' 617' ' ' HIS . 10.8 p -81.7 -10.32 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -70.01 -19.26 63.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.83 125.87 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -51.04 157.24 1.49 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.592 0.71 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -89.56 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.572 ' HB3' HD22 ' B' ' 586' ' ' LEU . 7.0 p90 -172.43 -170.24 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.0 t -109.88 83.17 2.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 177.53 5.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.635 2.223 . . . . 0.0 112.388 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -125.34 30.68 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -104.59 82.24 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -59.08 -47.59 84.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -95.93 151.32 19.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 54.91 71.03 1.4 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 152.62 69.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.661 HD22 ' HD2' ' B' ' 565' ' ' ARG . 17.4 tp -68.64 163.93 22.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 1.3 m -159.98 149.69 18.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -51.99 -29.6 21.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 30.9 t -53.43 -38.51 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -52.65 -52.55 55.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.661 HD21 ' HB2' ' B' ' 562' ' ' LEU . 8.5 mp -95.45 31.22 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.2 -48.93 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 26.6 m -105.34 32.67 4.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -124.3 160.42 52.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.584 0.707 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.76 167.71 23.65 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.742 2.295 . . . . 0.0 112.338 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.8 27.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -95.71 -41.99 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 557' ' ' GLU . . . . . 0.404 ' HG2' ' HE1' ' B' ' 561' ' ' MET . 1.1 tp10 -67.0 -19.73 65.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.475 ' HB3' HD23 ' B' ' 550' ' ' LEU . 4.6 mt-30 -58.5 -66.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.422 ' HB2' HD11 ' B' ' 586' ' ' LEU . 16.7 ptpt -53.14 -31.06 40.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -64.39 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 561' ' ' MET . . . . . 0.404 ' HE1' ' HG2' ' B' ' 557' ' ' GLU . 45.8 mtm -61.7 -54.22 45.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.724 HD21 HD12 ' B' ' 593' ' ' LEU . 9.8 tt -53.57 -56.29 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.45 -44.7 96.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.66 -38.14 86.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.661 ' HD2' HD22 ' B' ' 545' ' ' LEU . 2.6 tmt_? -76.44 -32.84 58.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -25.66 55.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.534 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.63 -57.98 10.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.722 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.78 -45.26 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.543 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -51.61 -34.2 36.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.692 HD12 ' HB ' ' B' ' 582' ' ' THR . 88.4 mt -76.58 -31.88 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 571' ' ' GLN . . . . . 0.487 ' HG2' ' HB2' ' B' ' 578' ' ' ALA . 25.6 mt-30 -59.44 -19.53 48.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.75 -27.82 13.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.763 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -125.48 -37.03 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.609 ' CE1' HG21 ' B' ' 611' ' ' VAL . 22.7 m80 -128.34 75.56 78.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 110.828 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -7.81 22.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.712 2.274 . . . . 0.0 112.33 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.3 p -100.62 -46.15 5.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.464 HD23 ' HD2' ' B' ' 574' ' ' HIS . 2.8 mm? -92.93 15.27 15.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 578' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' B' ' 571' ' ' GLN . . . -54.08 -55.86 23.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.03 -50.91 31.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 580' ' ' LYS . . . . . 0.608 ' HD3' HD13 ' B' ' 614' ' ' LEU . 16.8 mttp -62.5 -49.14 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.519 HG22 HD22 ' B' ' 585' ' ' LEU . 23.7 mt -55.85 -60.26 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.692 ' HB ' HD12 ' B' ' 570' ' ' ILE . 9.3 t -56.63 -32.63 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.46 -60.4 8.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.66 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 36.4 mtm -63.37 -45.39 91.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.532 ' O ' HD11 ' B' ' 593' ' ' LEU . 7.7 mp -59.02 -31.46 68.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.572 HD22 ' HB3' ' A' ' 76' ' ' PHE . 6.5 tt -80.38 -19.86 45.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 20.3 tp10 -77.06 -58.4 3.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.51 -62.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.15 112.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.647 ' HB3' HD13 ' B' ' 562' ' ' LEU . 79.9 m-20 -52.54 -46.46 66.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -43.31 61.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -61.78 -37.87 85.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.724 HD12 HD21 ' B' ' 562' ' ' LEU . 3.0 mt -66.04 -40.51 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.74 -16.82 59.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -107.07 -20.33 13.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 22.7 mtm -84.77 -41.97 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.873 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -63.02 -14.24 45.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.873 ' N ' HD13 ' B' ' 597' ' ' LEU . 10.0 pt-20 -68.15 -16.42 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.02 144.12 46.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -48.74 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.312 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -58.14 -23.88 56.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 26.7 t -84.51 -49.63 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.476 HD13 ' N ' ' B' ' 604' ' ' ARG . 2.3 tm? -51.87 -63.93 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.476 ' N ' HD13 ' B' ' 603' ' ' LEU . 5.6 ptm180 -54.25 -44.04 71.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 12.8 t -51.26 -51.38 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -61.16 -54.2 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.763 HG11 ' HG3' ' B' ' 573' ' ' MET . 99.2 t -51.18 -48.8 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -58.2 -52.83 63.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 609' ' ' GLU . . . . . 0.431 ' O ' HG23 ' B' ' 613' ' ' VAL . 29.1 mm-40 -53.37 -53.79 45.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.66 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.44 -60.57 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.609 HG21 ' CE1' ' B' ' 574' ' ' HIS . 58.5 t -50.11 -42.46 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.16 88.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.685 HG21 ' HG ' ' A' ' 69' ' ' LEU . 97.3 t -65.65 -39.18 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.608 HD13 ' HD3' ' B' ' 580' ' ' LYS . 15.8 mt -51.48 -29.52 16.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -51.54 -29.71 17.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -69.75 -37.32 76.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 617' ' ' HIS . . . . . 0.551 ' HB2' HG11 ' A' ' 71' ' ' VAL . 3.7 t-160 -82.73 -36.38 25.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 58.48 55.74 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -84.19 -70.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -78.08 -25.7 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -83.22 55.91 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -105.8 94.43 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.824 0.345 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -121.46 -168.37 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.1 t -110.96 -23.84 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -101.33 -71.54 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.56 160.54 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.661 ' HG ' HG21 ' B' ' 613' ' ' VAL . 4.1 pp -106.09 172.06 7.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -106.5 137.16 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 71' ' ' VAL . 7.2 p -78.11 -3.34 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -69.67 -19.88 63.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.452 ' HB1' ' CG ' ' B' ' 587' ' ' GLU . . . -57.9 121.06 9.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.08 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -52.13 159.92 1.36 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -89.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -172.06 -168.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.474 HG23 ' CD ' ' B' ' 559' ' ' LYS . 85.8 t -109.97 82.47 2.48 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.643 0.735 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -178.55 2.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.372 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -115.33 27.67 9.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.68 -26.57 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -166.64 109.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -174.13 164.25 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 52.06 68.31 3.29 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.628 0.728 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.88 23.17 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.727 2.284 . . . . 0.0 112.329 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.636 HD13 ' N ' ' B' ' 546' ' ' THR . 0.4 OUTLIER -118.66 133.82 55.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 546' ' ' THR . . . . . 0.636 ' N ' HD13 ' B' ' 545' ' ' LEU . 0.2 OUTLIER -159.78 168.57 25.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 547' ' ' ALA . . . . . 0.431 ' H ' HG22 ' B' ' 546' ' ' THR . . . -53.5 -28.15 29.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 25.4 p -59.83 -40.0 87.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 40.2 mmm -54.39 -37.53 65.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.673 HD22 HD11 ' B' ' 594' ' ' LEU . 9.0 mp -95.94 25.7 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -104.27 -39.11 6.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 76.9 p -108.95 27.88 9.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -125.94 160.23 57.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.541 0.686 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.77 168.06 22.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.66 24.18 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.749 2.3 . . . . 0.0 112.341 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -97.18 -40.51 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -66.1 -21.09 66.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -57.52 -64.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.537 ' CA ' HD11 ' B' ' 586' ' ' LEU . 15.9 ptpt -51.61 -34.18 36.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -62.21 -71.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 37.3 mtm -58.0 -56.02 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.685 HD21 HD12 ' B' ' 593' ' ' LEU . 9.3 tt -50.56 -60.39 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.67 -39.58 86.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -58.45 -47.73 83.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -74.74 -25.74 59.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -26.77 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.95 -57.95 10.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 110.933 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.77 -38.22 8.08 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.636 2.224 . . . . 0.0 112.362 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.614 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.8 OUTLIER -54.59 -38.37 66.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.55 HD13 HG22 ' B' ' 581' ' ' ILE . 67.6 mt -75.35 -33.69 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -58.93 -19.83 46.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.57 -28.12 30.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.527 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -124.55 -38.31 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.594 ' CD2' HG21 ' B' ' 611' ' ' VAL . 17.1 m80 -125.27 73.3 66.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 110.826 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -7.49 21.22 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.619 2.212 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 4.3 p -92.61 -58.01 2.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.462 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -92.19 15.1 14.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 578' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.9 -33.99 18.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.11 -72.02 0.74 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 580' ' ' LYS . . . . . 0.723 ' HD3' HD22 ' B' ' 614' ' ' LEU . 1.2 tttp -48.7 -41.63 32.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.712 0.292 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.55 HG22 HD13 ' B' ' 570' ' ' ILE . 49.2 mt -55.41 -59.4 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -31.24 65.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.37 -57.94 13.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.716 ' HE1' ' HB1' ' B' ' 610' ' ' ALA . 35.2 mtm -65.89 -42.5 90.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.432 HD22 HG22 ' B' ' 581' ' ' ILE . 8.2 mp -61.57 -30.35 70.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.639 ' HA ' HD11 ' B' ' 593' ' ' LEU . 7.7 tt -83.9 -19.18 35.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' B' ' 588' ' ' ILE . 0.9 OUTLIER -77.01 -55.2 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.463 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.05 -61.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.47 109.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.671 ' HB3' HD13 ' B' ' 562' ' ' LEU . 2.8 m120 -52.22 -45.54 65.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -36.86 63.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -67.6 -33.91 75.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.685 HD12 HD21 ' B' ' 562' ' ' LEU . 1.6 mt -73.19 -34.8 66.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.673 HD11 HD22 ' B' ' 550' ' ' LEU . 41.7 mt -64.33 -15.7 60.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -118.31 -15.29 9.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -89.44 -20.84 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.746 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -68.22 -7.99 35.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.552 ' N ' HD13 ' B' ' 597' ' ' LEU . 12.4 mt-10 -92.03 -14.37 29.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.81 121.05 55.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.699 0.761 . . . . 0.0 110.862 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -64.79 -22.44 66.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 72.5 m -82.75 -49.33 9.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.481 HD13 ' C ' ' B' ' 603' ' ' LEU . 2.8 tm? -50.71 -56.5 11.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -55.66 -37.81 68.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 31.1 t -64.66 -45.36 87.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -59.71 -57.57 12.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.527 HG11 ' HG3' ' B' ' 573' ' ' MET . 64.5 t -54.2 -50.64 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -55.71 -53.91 50.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -51.94 -52.93 46.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.716 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -51.66 -60.51 3.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.594 HG21 ' CD2' ' B' ' 574' ' ' HIS . 57.5 t -50.6 -36.86 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.42 93.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.661 HG21 ' HG ' ' A' ' 69' ' ' LEU . 84.0 t -64.21 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.723 HD22 ' HD3' ' B' ' 580' ' ' LYS . 8.3 mt -51.51 -30.43 20.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -51.82 -30.22 22.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -66.45 -36.71 83.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -99.62 -74.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -159.8 144.13 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -141.14 72.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm 52.87 29.3 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -109.09 57.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -119.58 112.12 18.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.058 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.859 0.361 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -137.13 134.32 36.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -76.01 -31.12 58.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -55.4 175.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -52.07 165.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.713 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.6 pp -131.1 -175.43 3.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -108.56 137.27 46.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.616 ' HB ' HG12 ' B' ' 613' ' ' VAL . 10.3 p -86.94 -16.23 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.9 -17.13 63.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HB1' ' CD ' ' B' ' 587' ' ' GLU . . . -56.23 123.32 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -51.28 159.39 1.12 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -89.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.312 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.648 ' HB3' HD22 ' B' ' 586' ' ' LEU . 8.2 p90 -172.1 -169.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.97 82.46 2.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -178.87 2.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.95 34.82 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.35 157.26 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -87.83 -53.03 4.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 39.43 41.63 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -123.94 68.78 45.93 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.636 0.731 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -171.25 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.697 2.264 . . . . 0.0 112.329 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.495 ' C ' HD13 ' B' ' 545' ' ' LEU . 3.3 tm? -52.56 129.87 30.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 546' ' ' THR . . . . . 0.495 ' N ' HD13 ' B' ' 545' ' ' LEU . 1.3 m -154.18 164.06 39.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 547' ' ' ALA . . . . . 0.621 ' HA ' HD13 ' B' ' 594' ' ' LEU . . . -65.81 -27.55 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -36.3 82.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.44 -37.71 57.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.955 HD12 HD11 ' B' ' 594' ' ' LEU . 4.2 mt -101.3 36.26 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -89.39 -68.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 12.0 p -94.69 41.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -127.67 159.96 63.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.564 0.697 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.7 Cg_endo -69.78 168.38 21.75 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.665 2.244 . . . . 0.0 112.309 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 555' ' ' PRO . . . . . 0.421 ' HA ' ' HG3' ' B' ' 558' ' ' GLN . 53.9 Cg_endo -69.79 -7.41 21.01 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.668 2.246 . . . . 0.0 112.356 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -92.61 -52.78 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 557' ' ' GLU . . . . . 0.416 ' HB3' ' HE1' ' B' ' 561' ' ' MET . 1.6 tt0 -58.68 -24.36 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.701 ' HA ' HD22 ' B' ' 550' ' ' LEU . 4.2 mt-30 -51.79 -62.52 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 559' ' ' LYS . . . . . 0.548 ' HB2' HD11 ' B' ' 586' ' ' LEU . 34.7 pttt -64.3 -25.11 67.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -68.3 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 561' ' ' MET . . . . . 0.416 ' HE1' ' HB3' ' B' ' 557' ' ' GLU . 45.3 mtm -60.96 -44.97 96.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.823 HD13 ' HB2' ' B' ' 590' ' ' ASN . 9.7 tt -62.4 -57.23 12.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.53 -38.68 93.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.49 -39.47 91.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -76.84 -34.71 57.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.9 -25.7 56.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.527 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.04 -58.25 9.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.72 -42.52 3.37 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.609 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.8 OUTLIER -51.14 -36.5 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 570' ' ' ILE . . . . . 0.769 HD12 ' HB ' ' B' ' 582' ' ' THR . 96.5 mt -75.43 -34.35 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -57.39 -21.52 36.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -52.7 -31.22 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.742 ' HE3' HG21 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -118.55 -38.55 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.716 ' CE1' HG11 ' B' ' 611' ' ' VAL . 21.8 m-70 -127.07 74.59 76.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.704 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -7.79 21.95 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.01 -42.39 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.455 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -100.37 15.03 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.38 -53.52 52.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.39 -50.74 34.28 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 580' ' ' LYS . . . . . 0.519 ' HB2' HD11 ' B' ' 614' ' ' LEU . 30.6 mmmt -63.38 -49.04 75.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.606 HD11 HG22 ' B' ' 611' ' ' VAL . 20.3 mt -55.4 -60.6 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 582' ' ' THR . . . . . 0.769 ' HB ' HD12 ' B' ' 570' ' ' ILE . 7.8 t -56.21 -33.6 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.45 -60.24 8.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.673 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 34.8 mtm -64.79 -44.91 88.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.545 ' O ' HD11 ' B' ' 593' ' ' LEU . 9.8 mp -58.82 -30.25 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 76' ' ' PHE . 2.9 tt -82.8 -19.15 38.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tt0 -76.07 -56.34 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.98 -60.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.84 103.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.823 ' HB2' HD13 ' B' ' 562' ' ' LEU . 2.6 p-10 -51.03 -42.87 60.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.91 -39.47 68.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.27 -33.75 76.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.772 HD12 HD21 ' B' ' 562' ' ' LEU . 2.4 mt -72.33 -34.67 68.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.955 HD11 HD12 ' B' ' 550' ' ' LEU . 54.6 mt -61.22 -17.5 53.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -118.73 -15.2 9.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.12 -19.78 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.736 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -68.87 -7.8 37.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.517 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.1 mt-10 -85.95 -15.55 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 37.7 t -100.17 121.22 54.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.83 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.722 2.282 . . . . 0.0 112.319 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.45 -19.6 65.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 20.0 m -86.27 -49.29 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.483 HD13 ' N ' ' B' ' 604' ' ' ARG . 2.1 tm? -51.23 -62.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 604' ' ' ARG . . . . . 0.483 ' N ' HD13 ' B' ' 603' ' ' LEU . 15.8 mmm180 -57.53 -36.09 71.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.4 t -62.03 -48.23 81.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -62.2 -53.78 50.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.742 HG21 ' HE3' ' B' ' 573' ' ' MET . 93.3 t -51.09 -51.83 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -57.28 -51.1 70.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 609' ' ' GLU . . . . . 0.453 ' O ' HG23 ' B' ' 613' ' ' VAL . 57.5 mm-40 -55.73 -51.63 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.673 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -52.45 -59.83 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.716 HG11 ' CE1' ' B' ' 574' ' ' HIS . 39.6 t -50.6 -42.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.85 95.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.713 HG21 ' HG ' ' A' ' 69' ' ' LEU . 95.3 t -63.91 -38.19 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' B' ' 580' ' ' LYS . 29.7 mt -50.27 -32.08 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -53.34 -37.71 62.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -57.24 -30.95 65.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 617' ' ' HIS . . . . . 0.454 ' HB2' HG11 ' A' ' 71' ' ' VAL . 42.9 t-80 -102.01 -73.68 0.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -156.01 139.7 16.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -103.36 62.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 18.5 tptp 53.01 31.65 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 53.93 53.45 11.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -118.58 -50.62 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.578 ' HB2' ' OE1' ' B' ' 592' ' ' GLU . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -121.96 116.82 25.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.1 t -69.98 -24.89 63.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -57.76 -178.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -51.48 140.57 17.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.664 ' HG ' HG21 ' B' ' 613' ' ' VAL . 2.6 pp -121.94 168.2 12.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -89.73 137.45 32.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.8 p -93.79 -13.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -70.07 -11.01 60.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.8 119.33 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 155.86 2.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.647 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.9 Cg_endo -69.79 -89.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -172.12 -169.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.1 t -109.88 82.54 2.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.631 0.729 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -170.72 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.227 . . . . 0.0 112.371 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -118.31 28.33 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.4 t -92.7 -53.63 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -121.38 45.69 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -127.18 165.35 19.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.938 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 52.19 68.72 2.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 172.44 12.63 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.453 HD12 ' H ' ' B' ' 546' ' ' THR . 46.4 tp -72.42 144.12 48.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 546' ' ' THR . . . . . 0.453 ' H ' HD12 ' B' ' 545' ' ' LEU . 9.0 t -139.65 167.59 21.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 547' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' B' ' 551' ' ' ALA . . . -58.33 -25.28 61.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 548' ' ' SER . . . . . 0.419 ' HB2' HG23 ' B' ' 546' ' ' THR . 31.6 m -52.02 -44.22 64.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -57.59 -51.0 71.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.616 ' HB2' HD11 ' B' ' 594' ' ' LEU . 8.4 mp -95.2 30.76 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 551' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' B' ' 547' ' ' ALA . . . -101.2 -50.19 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.081 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 6.2 p -105.59 30.36 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.583 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -120.99 160.6 44.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 111.082 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.583 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.7 Cg_endo -69.76 167.7 23.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.367 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.85 24.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -94.26 -51.49 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -57.47 -23.67 51.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.428 ' HB3' HD23 ' B' ' 550' ' ' LEU . 4.3 mt-30 -52.03 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -34.9 70.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -62.95 -67.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 49.6 mtm -57.71 -59.02 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.625 HD22 ' OD1' ' B' ' 590' ' ' ASN . 10.6 tt -51.62 -59.99 3.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.33 -45.6 65.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.23 -44.43 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -73.26 -27.9 61.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 2.6 mp -75.9 -27.02 57.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.2 -58.06 9.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.855 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.73 -38.8 7.37 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.373 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.619 ' O ' HD13 ' B' ' 569' ' ' LEU . 1.2 tm? -52.96 -39.9 63.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 17.1 mt -75.28 -32.44 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.89 -19.34 50.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.55 68.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.709 ' HE3' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -120.73 -24.68 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.683 ' CD2' HG21 ' B' ' 611' ' ' VAL . 8.2 m80 -142.29 73.57 21.26 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.702 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.16 20.36 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.661 2.24 . . . . 0.0 112.321 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.466 HG21 ' HD2' ' B' ' 620' ' ' LYS . 3.2 p -93.27 -60.53 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.456 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.11 13.87 13.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 578' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.39 -32.59 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.67 -73.98 0.49 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 580' ' ' LYS . . . . . 0.628 ' HD3' HD22 ' B' ' 614' ' ' LEU . 34.7 mttp -48.02 -41.32 25.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.631 HD11 HG22 ' B' ' 611' ' ' VAL . 53.7 mt -55.61 -60.17 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -31.59 63.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.87 -59.95 8.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.682 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 33.0 mtm -64.57 -43.34 94.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.595 HD22 HG22 ' B' ' 581' ' ' ILE . 7.4 mp -60.37 -29.99 69.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 75' ' ' PRO . 2.7 tt -83.68 -18.99 36.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tm-20 -76.87 -55.21 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.464 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.01 -60.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.19 105.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.625 ' OD1' HD22 ' B' ' 562' ' ' LEU . 61.5 m-20 -51.69 -45.09 63.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.55 -38.34 63.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.578 ' OE1' ' HB2' ' A' ' 64' ' ' ALA . 8.4 tt0 -67.17 -33.83 76.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.55 HD11 ' HA ' ' B' ' 586' ' ' LEU . 2.1 mt -72.22 -34.84 68.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' B' ' 550' ' ' LEU . 10.1 mt -61.66 -17.42 55.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -118.5 -15.04 9.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -89.36 -18.32 27.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.733 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.84 -7.03 36.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.545 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.7 mt-10 -90.28 -15.04 32.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 36.8 t -98.16 121.9 55.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -41.3 4.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.86 -18.54 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.4 t -85.13 -51.35 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.709 HD11 ' HE3' ' B' ' 573' ' ' MET . 6.6 tp -51.44 -63.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -54.94 -37.96 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 14.2 t -60.62 -51.94 67.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -57.4 -55.21 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.691 HG11 ' HG3' ' B' ' 573' ' ' MET . 92.0 t -51.83 -44.78 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -59.34 -56.9 16.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 609' ' ' GLU . . . . . 0.404 ' O ' HG23 ' B' ' 613' ' ' VAL . 54.1 mm-40 -52.6 -51.25 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.682 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.42 -60.17 3.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.683 HG21 ' CD2' ' B' ' 574' ' ' HIS . 86.6 t -50.52 -42.23 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.31 89.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.664 HG21 ' HG ' ' A' ' 69' ' ' LEU . 92.2 t -65.43 -40.58 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.628 HD22 ' HD3' ' B' ' 580' ' ' LYS . 11.5 mt -51.65 -29.45 17.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -51.81 -29.95 21.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -70.01 -42.27 73.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -89.53 -75.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -137.25 133.02 34.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -103.76 76.2 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 620' ' ' LYS . . . . . 0.466 ' HD2' HG21 ' B' ' 576' ' ' THR . 20.5 ttpt 61.38 32.06 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -62.73 -29.25 70.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -99.47 109.13 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.647 ' HB2' ' CD ' ' B' ' 592' ' ' GLU . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.833 0.349 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -115.49 116.95 29.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.1 m -94.23 -14.11 25.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -61.29 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -168.4 145.49 3.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.621 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -126.85 -175.76 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 73' ' ' ALA . 14.8 p-10 -109.24 138.78 45.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.552 ' HB ' HG12 ' B' ' 613' ' ' VAL . 9.0 p -85.05 -17.38 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -69.89 -18.81 63.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.427 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . . . -51.43 124.17 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.047 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -51.61 160.72 0.97 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.433 ' HA ' ' HA3' ' B' ' 583' ' ' GLY . 53.4 Cg_endo -69.82 -89.27 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.636 2.224 . . . . 0.0 112.318 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.582 ' HB3' HD22 ' B' ' 586' ' ' LEU . 9.3 p90 -171.98 -168.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.7 t -109.55 83.62 2.71 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.561 0.696 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 178.16 4.84 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -97.49 72.63 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.44 HG22 ' H ' ' A' ' 82' ' ' ALA . 12.6 p -149.54 135.32 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -52.08 -43.03 63.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.44 ' H ' HG22 ' A' ' 80' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 39.27 42.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -137.96 72.79 47.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.641 0.734 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 156.18 64.22 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 545' ' ' LEU . . . . . 0.569 HD12 ' HG3' ' B' ' 549' ' ' MET . 14.6 tp -79.62 138.9 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 19.7 p -145.17 179.76 7.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 547' ' ' ALA . . . . . 0.753 ' HA ' HD13 ' B' ' 594' ' ' LEU . . . -64.77 -28.42 69.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 4.8 p -65.07 -28.21 69.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 549' ' ' MET . . . . . 0.569 ' HG3' HD12 ' B' ' 545' ' ' LEU . 4.5 mmt -60.64 -49.2 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 550' ' ' LEU . . . . . 0.95 HD12 HD11 ' B' ' 594' ' ' LEU . 4.7 mt -86.32 -21.54 27.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -51.5 -51.47 54.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.0 t -93.71 41.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -146.18 160.74 41.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 554' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.4 Cg_endo -69.8 168.69 20.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 555' ' ' PRO . . . . . 0.414 ' HA ' ' HG3' ' B' ' 558' ' ' GLN . 53.9 Cg_endo -69.75 -7.55 21.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.278 . . . . 0.0 112.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.09 -47.7 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 557' ' ' GLU . . . . . 0.43 ' HA ' ' NE2' ' B' ' 560' ' ' GLN . 0.3 OUTLIER -62.04 -23.77 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 558' ' ' GLN . . . . . 0.463 ' HA ' HD22 ' B' ' 550' ' ' LEU . 4.2 mt-30 -53.18 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -50.92 -32.54 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 560' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' B' ' 557' ' ' GLU . 14.5 mt-30 -64.44 -71.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 561' ' ' MET . . . . . 0.405 ' HE1' ' HB3' ' B' ' 557' ' ' GLU . 46.4 mtm -54.19 -55.68 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.752 HD13 ' HB3' ' B' ' 590' ' ' ASN . 8.1 tt -51.16 -60.17 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.47 67.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -57.01 -47.68 80.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 565' ' ' ARG . . . . . 0.504 ' HG3' HD13 ' B' ' 545' ' ' LEU . 1.2 mmp_? -71.13 -26.79 63.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.3 mp -75.73 -27.28 58.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.17 -58.25 9.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.672 0.748 . . . . 0.0 110.833 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.68 -38.02 8.54 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 569' ' ' LEU . . . . . 0.562 ' O ' HD13 ' B' ' 569' ' ' LEU . 1.0 OUTLIER -51.91 -42.68 62.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 8.7 mt -75.52 -33.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.84 -20.14 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -55.06 -25.82 33.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 573' ' ' MET . . . . . 0.455 ' HE3' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -126.78 -41.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 574' ' ' HIS . . . . . 0.667 ' CE1' HG11 ' B' ' 611' ' ' VAL . 22.4 m-70 -122.29 74.61 41.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -7.25 20.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.361 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 576' ' ' THR . . . . . 0.4 ' OG1' HD22 ' B' ' 577' ' ' LEU . 3.2 p -95.22 -53.71 3.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 577' ' ' LEU . . . . . 0.471 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.7 mm? -90.39 12.22 19.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.3 -33.32 28.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.8 -59.02 8.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 580' ' ' LYS . . . . . 0.51 ' HD3' HD22 ' B' ' 614' ' ' LEU . 40.1 mttm -62.29 -40.04 94.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 581' ' ' ILE . . . . . 0.66 HD11 HG22 ' B' ' 611' ' ' VAL . 61.4 mt -58.38 -62.05 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 6.5 t -56.95 -34.02 67.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 583' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 75' ' ' PRO . . . -60.02 -59.83 9.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 584' ' ' MET . . . . . 0.66 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 37.9 mtm -65.16 -45.82 83.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 585' ' ' LEU . . . . . 0.524 ' O ' HD11 ' B' ' 593' ' ' LEU . 9.8 mp -57.85 -29.25 64.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 586' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 76' ' ' PHE . 1.6 tt -83.56 -19.61 35.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 587' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.5 tp10 -77.3 -55.15 5.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 588' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.7 OUTLIER -33.26 -61.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.79 106.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 590' ' ' ASN . . . . . 0.752 ' HB3' HD13 ' B' ' 562' ' ' LEU . 84.4 m-20 -52.46 -40.72 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 2.2 t -55.34 -39.18 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 592' ' ' GLU . . . . . 0.647 ' CD ' ' HB2' ' A' ' 64' ' ' ALA . 9.9 tt0 -67.94 -33.81 75.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 593' ' ' LEU . . . . . 0.676 HD12 HD21 ' B' ' 562' ' ' LEU . 2.3 mt -71.7 -35.99 70.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 594' ' ' LEU . . . . . 0.95 HD11 HD12 ' B' ' 550' ' ' LEU . 55.5 mt -62.83 -16.45 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -118.74 -12.08 9.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -88.21 -23.4 23.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 597' ' ' LEU . . . . . 0.736 HD22 ' C ' ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.55 -6.5 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 598' ' ' GLU . . . . . 0.511 ' N ' HD13 ' B' ' 597' ' ' LEU . 13.3 mt-10 -89.03 9.02 26.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 48.4 t -134.05 128.38 19.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -48.3 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.19 -18.74 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 23.2 m -84.76 -54.16 4.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 603' ' ' LEU . . . . . 0.455 HD11 ' HE3' ' B' ' 573' ' ' MET . 7.1 tp -52.21 -58.51 6.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -57.33 -41.34 79.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.4 t -54.87 -53.21 58.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.4 -54.3 48.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 607' ' ' VAL . . . . . 0.603 ' O ' HG23 ' B' ' 611' ' ' VAL . 93.9 t -51.13 -52.02 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.75 -51.23 69.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -55.38 -52.16 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 610' ' ' ALA . . . . . 0.66 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.73 -60.17 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 611' ' ' VAL . . . . . 0.667 HG11 ' CE1' ' B' ' 574' ' ' HIS . 40.4 t -50.24 -43.3 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.56 88.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 613' ' ' VAL . . . . . 0.621 HG21 ' HG ' ' A' ' 69' ' ' LEU . 70.2 t -63.33 -40.87 90.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 614' ' ' LEU . . . . . 0.51 HD22 ' HD3' ' B' ' 580' ' ' LYS . 12.6 mt -51.04 -36.13 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -53.34 -34.47 57.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -57.37 -24.33 54.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 617' ' ' HIS . . . . . 0.412 ' HB2' HG11 ' A' ' 71' ' ' VAL . 2.3 t-160 -111.26 -64.12 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.44 141.61 21.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.55 -71.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -137.51 26.77 2.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 58.0 43.65 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -108.05 106.79 17.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.64 ' HG3' HG22 ' B' ' 613' ' ' VAL . 22.8 tt0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.834 0.35 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.675 HD12 HG11 ' B' ' 613' ' ' VAL . 2.7 pp -119.73 -176.74 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -92.14 137.41 32.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.579 ' HB ' HG12 ' B' ' 613' ' ' VAL . 7.4 p -92.19 -20.08 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.76 -16.9 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.47 116.38 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -51.41 160.3 0.99 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.562 0.696 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -89.06 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -172.24 -169.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.4 m -110.05 82.2 2.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.817 0.341 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.74 99.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 23.3 t -95.97 33.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -140.41 160.45 59.49 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.0 Cg_endo -69.71 168.63 20.93 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . 0.417 ' HA ' ' HG3' ' B' ' 558' ' ' GLN . 53.4 Cg_endo -69.88 -7.75 21.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -93.39 -50.69 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.68 -23.54 64.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . 0.417 ' HG3' ' HA ' ' B' ' 555' ' ' PRO . 3.7 mt-30 -52.82 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.683 ' HB2' HD11 ' B' ' 586' ' ' LEU . 24.7 pttt -51.64 -32.32 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -61.53 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.2 mtm -61.88 -54.94 35.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.778 HD13 ' HB3' ' B' ' 590' ' ' ASN . 9.2 tt -52.0 -60.13 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.41 -38.32 78.94 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -62.83 -42.05 99.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.375 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -75.96 -31.72 59.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -26.05 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.533 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.53 -57.8 10.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.2 Cg_endo -69.84 -40.8 4.78 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.574 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -53.13 -35.5 59.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.599 HD13 HG22 ' B' ' 581' ' ' ILE . 91.4 mt -75.36 -33.9 28.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -56.46 -21.81 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.11 -32.45 22.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.797 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -120.37 -33.4 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.795 ' CE1' HG21 ' B' ' 611' ' ' VAL . 10.1 m80 -130.77 75.55 78.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.805 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -7.57 21.39 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.732 2.288 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.7 p -98.46 -55.37 2.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.454 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -88.47 8.88 25.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.08 -35.63 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.54 -70.08 1.14 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . 0.668 ' HE2' HD22 ' B' ' 614' ' ' LEU . 7.6 mtpt -51.03 -41.48 59.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.599 HG22 HD13 ' B' ' 570' ' ' ILE . 48.3 mt -54.91 -60.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.459 ' HB ' HD12 ' B' ' 570' ' ' ILE . 0.6 OUTLIER -58.62 -29.92 66.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.81 -59.23 9.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.705 ' HE1' ' HB1' ' B' ' 610' ' ' ALA . 35.1 mtm -62.53 -44.0 97.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.528 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.4 mp -61.72 -29.93 70.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' B' ' 559' ' ' LYS . 4.9 tt -81.44 -20.09 41.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.5 tp10 -77.48 -57.21 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -33.85 -62.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.25 112.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.778 ' HB3' HD13 ' B' ' 562' ' ' LEU . 45.1 m-20 -52.15 -45.65 65.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.91 -45.44 60.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.11 -38.8 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.682 HD12 HD21 ' B' ' 562' ' ' LEU . 3.0 mt -65.06 -38.03 89.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.12 -16.48 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -110.88 -16.47 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . 0.44 ' HE3' ' HG3' ' B' ' 606' ' ' LYS . 23.2 mtm -90.84 -35.26 14.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.824 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -63.78 -13.22 42.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.824 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.6 pt-20 -94.85 31.76 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.85 136.95 6.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -48.96 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.656 2.237 . . . . 0.0 112.386 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.13 -20.13 56.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 18.0 t -91.35 -55.82 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.469 ' C ' HD13 ' B' ' 603' ' ' LEU . 3.1 tm? -51.84 -61.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -54.91 -35.32 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.3 t -63.2 -50.53 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.451 ' HB3' HD21 ' B' ' 585' ' ' LEU . 30.7 mmmt -59.69 -57.18 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.797 HG11 ' HG3' ' B' ' 573' ' ' MET . 95.6 t -50.76 -51.42 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -56.97 -52.31 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . 0.469 ' O ' HG23 ' B' ' 613' ' ' VAL . 0.3 OUTLIER -53.88 -54.51 37.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.705 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -50.38 -59.82 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.795 HG21 ' CE1' ' B' ' 574' ' ' HIS . 58.8 t -49.52 -42.42 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.41 79.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.675 HG11 HD12 ' A' ' 69' ' ' LEU . 93.6 t -67.68 -42.0 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.668 HD22 ' HE2' ' B' ' 580' ' ' LYS . 10.4 mt -63.07 -19.85 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.9 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.805 ' HG ' HG21 ' B' ' 613' ' ' VAL . 1.0 OUTLIER -119.29 -175.99 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -99.08 135.71 40.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.507 ' HB ' HG12 ' B' ' 613' ' ' VAL . 14.9 p -85.25 -22.76 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -70.2 -11.03 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.78 124.03 16.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -51.5 157.47 1.76 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -89.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.302 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.59 ' HB3' HD22 ' B' ' 586' ' ' LEU . 13.2 p90 -172.03 -169.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.84 83.46 2.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.44 -54.86 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 5.7 t -98.27 25.28 6.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -117.18 160.46 37.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.4 Cg_endo -69.78 167.84 23.32 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -11.28 30.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -93.28 -46.64 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . 0.421 ' O ' ' HE2' ' B' ' 561' ' ' MET . 41.7 mt-10 -59.28 -25.06 63.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -54.8 -71.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -51.8 -32.72 32.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -62.82 -67.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . 0.421 ' HE2' ' O ' ' B' ' 557' ' ' GLU . 40.8 mtm -60.92 -55.74 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.767 HD13 ' HB3' ' B' ' 590' ' ' ASN . 9.1 tt -51.74 -58.39 6.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.44 -54.31 38.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.513 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.48 -42.5 61.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -74.12 -27.85 61.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -25.36 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.517 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.19 -58.71 8.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.644 0.735 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -39.96 5.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.524 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -52.46 -40.14 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.625 HD12 ' HB ' ' B' ' 582' ' ' THR . 56.7 mt -75.72 -32.68 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . 0.409 ' HG2' ' HA ' ' B' ' 575' ' ' PRO . 32.7 mt-30 -58.47 -19.7 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.34 43.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.734 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -124.66 -38.53 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.671 ' CE1' HG11 ' B' ' 611' ' ' VAL . 22.8 m-70 -124.72 75.06 64.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . 0.409 ' HA ' ' HG2' ' B' ' 571' ' ' GLN . 53.6 Cg_endo -69.81 -6.44 18.62 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.736 2.291 . . . . 0.0 112.354 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.0 p -96.7 -54.25 3.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.81 14.44 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.66 -39.08 57.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.56 -52.89 35.33 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -62.78 -40.56 97.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.507 HG22 HD22 ' B' ' 585' ' ' LEU . 27.0 mt -61.05 -60.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.625 ' HB ' HD12 ' B' ' 570' ' ' ILE . 8.2 t -57.06 -33.46 67.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.84 -59.32 9.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.707 ' CE ' HD21 ' B' ' 614' ' ' LEU . 39.9 mtm -62.71 -44.47 96.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.552 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.2 mp -60.8 -30.94 70.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 76' ' ' PHE . 7.4 tt -80.24 -19.59 46.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 11.0 tm-20 -77.37 -58.44 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.37 -62.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.77 113.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.767 ' HB3' HD13 ' B' ' 562' ' ' LEU . 54.6 m-20 -53.26 -47.02 69.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -43.48 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -61.33 -38.78 88.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.674 HD12 HD21 ' B' ' 562' ' ' LEU . 3.3 mt -65.17 -40.6 94.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.31 -15.41 60.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -106.45 -20.12 13.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 33.3 mtm -88.02 -40.67 13.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.874 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -63.27 -14.34 48.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.874 ' N ' HD13 ' B' ' 597' ' ' LEU . 1.3 pp20? -71.7 -15.01 62.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.48 147.97 68.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.71 0.767 . . . . 0.0 110.868 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -47.43 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.404 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.97 -23.7 47.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 2.4 m -87.24 -51.92 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.798 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.474 ' C ' HD13 ' B' ' 603' ' ' LEU . 2.2 tm? -54.3 -62.75 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.474 ' N ' HD13 ' B' ' 603' ' ' LEU . 41.5 ttp180 -52.97 -44.63 67.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.4 t -52.19 -51.26 59.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -59.85 -56.08 26.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.734 HG11 ' HG3' ' B' ' 573' ' ' MET . 95.5 t -50.79 -53.13 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -52.42 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -54.25 -53.32 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.69 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -51.12 -60.07 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.671 HG11 ' CE1' ' B' ' 574' ' ' HIS . 39.8 t -49.92 -42.12 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.69 92.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.805 HG21 ' HG ' ' A' ' 69' ' ' LEU . 53.0 t -64.74 -42.26 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.079 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.707 HD21 ' CE ' ' B' ' 584' ' ' MET . 8.3 mt -53.81 -32.88 54.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.844 0.354 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.645 ' CD1' HG21 ' B' ' 613' ' ' VAL . 3.1 pp -125.41 -176.51 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -101.35 136.56 40.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.528 HG23 ' CD2' ' B' ' 614' ' ' LEU . 7.2 p -86.92 -19.19 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -70.05 -17.85 63.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HB1' ' CD ' ' B' ' 587' ' ' GLU . . . -51.43 123.41 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -52.14 160.49 1.2 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -88.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.57 ' HB3' HD22 ' B' ' 586' ' ' LEU . 9.2 p90 -171.84 -169.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.9 t -109.98 82.58 2.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.666 0.746 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' B' ' 558' ' ' GLN . 3.9 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.839 0.352 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -95.1 -58.89 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.68 23.4 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -112.48 159.8 32.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 111.104 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.3 Cg_endo -69.79 167.4 24.59 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -9.08 25.23 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -95.92 -45.87 6.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . 0.411 ' HB3' ' HE2' ' B' ' 561' ' ' MET . 19.0 mm-40 -59.87 -26.79 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . 0.58 ' HA ' HD22 ' B' ' 550' ' ' LEU . 6.2 mt-30 -52.02 -68.65 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -56.56 -32.37 65.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -62.48 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . 0.411 ' HE2' ' HB3' ' B' ' 557' ' ' GLU . 38.5 mtm -61.71 -58.46 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.717 HD21 HD12 ' B' ' 593' ' ' LEU . 8.8 tt -50.93 -55.41 17.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.93 -54.78 35.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -52.19 -42.13 63.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -28.01 61.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.78 -25.95 56.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.71 -58.22 9.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -41.05 4.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.493 HD13 ' C ' ' B' ' 569' ' ' LEU . 3.3 tm? -51.76 -38.39 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.59 HD13 HG22 ' B' ' 581' ' ' ILE . 75.3 mt -75.08 -35.67 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -59.32 -19.36 45.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.45 -26.58 20.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.605 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -126.73 -38.02 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.547 ' O ' ' HB2' ' B' ' 578' ' ' ALA . 13.9 m-70 -126.03 72.57 70.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.43 21.02 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 2.241 . . . . 0.0 112.385 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 9.0 p -89.65 -61.84 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.46 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.7 mm? -89.25 11.38 19.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -48.25 -31.81 6.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.88 -76.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . 0.649 ' HD3' HD22 ' B' ' 614' ' ' LEU . 41.4 mttm -48.26 -38.47 18.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.714 0.292 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.59 HG22 HD13 ' B' ' 570' ' ' ILE . 59.5 mt -56.21 -59.94 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.6 -31.24 67.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.79 -60.04 8.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.627 ' HE1' ' HB1' ' B' ' 610' ' ' ALA . 35.8 mtm -62.73 -43.09 99.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.531 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.0 mp -61.44 -30.38 70.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.593 ' HA ' HD11 ' B' ' 593' ' ' LEU . 6.9 tt -81.32 -19.95 41.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' B' ' 588' ' ' ILE . 8.0 tt0 -77.46 -57.38 3.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -33.68 -62.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.13 113.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.663 ' HB3' HD13 ' B' ' 562' ' ' LEU . 79.9 m-20 -52.98 -43.67 66.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 2.7 t -51.23 -45.89 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.65 -39.11 87.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.717 HD12 HD21 ' B' ' 562' ' ' LEU . 3.0 mt -64.78 -37.81 88.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.92 -16.46 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -109.02 -17.28 13.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 26.8 mtm -90.92 -35.97 14.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.835 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -64.68 -12.64 48.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.835 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.9 pt-20 -94.51 31.37 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.97 142.66 2.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.845 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -48.82 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.32 -20.47 54.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.7 m -89.0 -55.63 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.513 HD21 ' HE1' ' B' ' 573' ' ' MET . 15.6 tp -58.59 -56.61 19.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -55.69 -34.73 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 6.2 t -64.7 -51.46 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.433 ' HB3' HD21 ' B' ' 585' ' ' LEU . 30.6 mmmt -60.82 -57.23 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.629 ' O ' HG23 ' B' ' 611' ' ' VAL . 95.5 t -50.85 -50.53 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.49 -53.49 57.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . 0.473 ' OE2' HD23 ' A' ' 69' ' ' LEU . 24.9 tt0 -54.53 -54.3 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.627 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -50.24 -60.18 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 607' ' ' VAL . 58.7 t -49.79 -42.79 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.66 88.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.645 HG21 ' CD1' ' A' ' 69' ' ' LEU . 98.8 t -64.38 -42.37 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.649 HD22 ' HD3' ' B' ' 580' ' ' LYS . 19.8 mt -61.43 -19.93 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.81 0.338 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.688 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.1 pp -116.92 179.62 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -96.42 135.55 38.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.416 ' HB ' HG12 ' B' ' 613' ' ' VAL . 7.6 p -88.75 -20.76 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -71.07 -15.0 62.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.05 120.87 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -51.51 160.21 1.05 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -88.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.299 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.495 ' HB3' HD13 ' B' ' 586' ' ' LEU . 12.2 p90 -171.85 -168.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.535 HG23 ' CE ' ' B' ' 559' ' ' LYS . 87.1 t -109.9 82.66 2.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 111.072 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.222 . . . . 0.0 112.321 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -97.15 -50.74 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.09 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 13.6 m -100.97 37.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -128.71 160.44 62.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.575 0.702 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.2 Cg_endo -69.69 167.73 23.51 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -96.61 -42.64 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.71 -21.4 66.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -56.86 -72.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.535 ' CE ' HG23 ' A' ' 77' ' ' VAL . 14.0 ptmt -54.49 -30.57 53.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -64.52 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 68.1 mtm -56.77 -57.12 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.755 HD21 HD12 ' B' ' 593' ' ' LEU . 9.2 tt -50.74 -60.32 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.38 -40.07 75.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -55.98 -52.65 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -71.72 -23.75 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.31 -27.79 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.504 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.07 -58.96 7.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.8 -36.1 11.32 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.537 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.9 OUTLIER -52.72 -43.99 66.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 10.8 mt -75.41 -31.99 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.127 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -59.26 -19.35 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.31 -23.59 49.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.54 ' CE ' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -128.56 -41.45 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.693 ' CE1' HG21 ' B' ' 611' ' ' VAL . 43.5 m-70 -122.86 74.12 46.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.729 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -7.28 20.66 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.468 ' OG1' HD22 ' B' ' 577' ' ' LEU . 10.0 p -92.62 -55.89 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.468 HD22 ' OG1' ' B' ' 576' ' ' THR . 2.7 mm? -92.07 16.78 10.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.94 -37.13 51.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.83 -54.98 22.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . 0.611 ' HD3' HD22 ' B' ' 614' ' ' LEU . 25.2 mttp -63.05 -39.54 95.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.441 HG22 HD22 ' B' ' 585' ' ' LEU . 50.2 mt -60.46 -60.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.6 t -56.62 -34.41 67.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.77 -59.24 10.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.543 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.632 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 44.6 mtm -62.57 -44.47 96.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.533 ' O ' HD11 ' B' ' 593' ' ' LEU . 7.1 mp -62.58 -25.82 68.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.55 ' HA ' HD11 ' B' ' 593' ' ' LEU . 5.5 tt -81.78 -23.15 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tt0 -77.49 -55.45 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.449 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -33.92 -61.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.44 109.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.676 ' HB3' HD13 ' B' ' 562' ' ' LEU . 81.2 m-20 -52.94 -46.62 68.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.94 -42.77 60.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.06 -40.25 95.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.755 HD12 HD21 ' B' ' 562' ' ' LEU . 1.9 mt -63.95 -39.15 93.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.68 -11.45 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -116.57 -12.05 11.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 33.5 mtm -90.13 -26.91 19.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.729 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -70.63 -5.96 33.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.551 ' N ' HD13 ' B' ' 597' ' ' LEU . 4.8 mt-10 -88.01 -2.1 58.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.79 138.9 29.17 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -60.02 -19.87 54.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 70.1 m -86.46 -56.07 3.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.54 HD11 ' CE ' ' B' ' 573' ' ' MET . 9.5 tp -54.83 -56.68 16.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -56.4 -42.0 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.2 t -56.23 -53.14 60.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -56.15 -55.5 32.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.55 ' O ' HG23 ' B' ' 611' ' ' VAL . 85.0 t -54.48 -50.67 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.64 -56.43 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -52.15 -53.34 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.632 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -50.62 -60.32 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.693 HG21 ' CE1' ' B' ' 574' ' ' HIS . 73.1 t -49.59 -41.67 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.65 93.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.688 HG21 ' HG ' ' A' ' 69' ' ' LEU . 95.3 t -63.45 -44.58 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.611 HD22 ' HD3' ' B' ' 580' ' ' LYS . 21.9 mt -54.4 -44.56 72.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.908 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.691 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.7 pp -113.11 -175.54 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -105.68 131.33 53.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 71' ' ' VAL . 7.3 p -81.28 -4.53 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.94 -25.1 63.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.428 ' HB1' ' HG3' ' B' ' 587' ' ' GLU . . . -51.71 122.67 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -51.46 160.54 0.96 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -89.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.426 ' HB3' HD22 ' B' ' 586' ' ' LEU . 8.0 p90 -172.01 -168.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.8 t -109.71 83.05 2.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.331 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -108.03 -29.72 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 1.1 m -114.9 24.55 11.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -124.73 159.99 55.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.1 Cg_endo -69.66 167.29 24.72 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.752 2.301 . . . . 0.0 112.343 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -8.89 24.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -96.57 -41.07 8.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . 0.416 ' HG2' ' HE1' ' B' ' 561' ' ' MET . 0.5 OUTLIER -68.33 -18.85 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -58.33 -66.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.41 ' O ' HD11 ' B' ' 586' ' ' LEU . 1.9 ptpm? -51.57 -33.14 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -68.91 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . 0.416 ' HE1' ' HG2' ' B' ' 557' ' ' GLU . 49.0 mtm -58.12 -54.4 47.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.665 HD21 HD12 ' B' ' 593' ' ' LEU . 9.3 tt -50.46 -60.65 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.94 -33.31 73.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.44 -42.4 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -77.19 -34.07 56.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' B' ' 562' ' ' LEU . 0.2 OUTLIER -75.73 -26.81 57.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -48.41 -58.17 8.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.82 -42.78 3.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.552 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -51.34 -35.65 39.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.761 HD12 ' HB ' ' B' ' 582' ' ' THR . 94.0 mt -75.81 -34.41 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -56.85 -22.17 34.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.24 -32.94 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.713 ' CE ' HG21 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -116.82 -37.9 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.662 ' CE1' HG21 ' B' ' 611' ' ' VAL . 12.3 m80 -128.27 76.14 78.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -7.88 22.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.2 p -100.31 -47.56 4.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -93.75 12.11 26.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.39 -53.12 49.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.51 -52.02 30.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . 0.449 ' HB2' HD11 ' B' ' 614' ' ' LEU . 13.7 mmtm -62.66 -48.28 80.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.66 HG22 HD22 ' B' ' 585' ' ' LEU . 17.7 mt -54.67 -60.71 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.761 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.4 t -57.52 -32.72 67.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.33 -60.53 8.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.623 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 35.7 mtm -64.91 -45.39 86.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.66 HD22 HG22 ' B' ' 581' ' ' ILE . 6.9 mp -57.97 -30.53 66.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.574 ' HA ' HD11 ' B' ' 593' ' ' LEU . 5.3 tt -82.78 -19.49 37.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -76.92 -56.52 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.66 -62.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.24 111.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.625 ' HB3' HD13 ' B' ' 562' ' ' LEU . 90.9 m-20 -51.66 -46.38 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.77 -39.41 58.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.82 -33.38 75.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.665 HD12 HD21 ' B' ' 562' ' ' LEU . 3.1 mt -71.83 -36.31 70.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.74 -21.44 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.66 -16.32 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 4.0 tmm? -89.27 -37.09 15.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.858 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -64.94 -12.69 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.858 ' N ' HD13 ' B' ' 597' ' ' LEU . 1.4 pp20? -73.62 -8.33 55.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 22.8 t -123.31 137.46 28.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 110.935 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -59.46 -26.01 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.11 -51.4 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.57 HD11 ' HE3' ' B' ' 573' ' ' MET . 1.6 tm? -52.98 -60.04 3.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.515 ' N ' HD13 ' B' ' 603' ' ' LEU . 22.8 ttm180 -56.15 -41.55 75.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.4 t -56.28 -50.83 70.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -58.74 -53.74 54.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.713 HG21 ' CE ' ' B' ' 573' ' ' MET . 83.9 t -51.59 -51.78 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.22 -48.49 73.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . 0.503 ' O ' HG23 ' B' ' 613' ' ' VAL . 8.8 tp10 -57.3 -53.33 59.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.623 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.38 -60.17 3.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.662 HG21 ' CE1' ' B' ' 574' ' ' HIS . 57.4 t -50.87 -46.17 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.0 74.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.691 HG21 ' HG ' ' A' ' 69' ' ' LEU . 96.6 t -64.57 -42.58 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.449 HD11 ' HB2' ' B' ' 580' ' ' LYS . 12.9 mt -50.43 -36.95 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.546 ' HG3' HG22 ' B' ' 613' ' ' VAL . 35.1 tt0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.686 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -114.51 -178.96 3.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -100.68 131.86 46.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.441 HG23 ' CD2' ' B' ' 614' ' ' LEU . 14.5 p -84.83 -12.46 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.72 -22.97 63.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.29 119.24 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.48 161.39 0.83 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.714 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HA ' ' HA3' ' B' ' 583' ' ' GLY . 53.8 Cg_endo -69.81 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -172.61 -169.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.7 t -109.74 83.09 2.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.387 179.928 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' B' ' 558' ' ' GLN . 4.8 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.62 80.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.4 t -95.69 25.67 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -127.78 160.49 60.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 111.135 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.4 Cg_endo -69.8 167.47 24.4 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . 0.4 ' HA ' ' HG3' ' B' ' 558' ' ' GLN . 53.5 Cg_endo -69.77 -8.19 22.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.739 2.293 . . . . 0.0 112.348 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -97.42 -44.25 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.43 -18.12 65.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . 0.446 ' HA ' HD22 ' B' ' 550' ' ' LEU . 5.2 mt-30 -56.83 -65.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.619 ' HB2' HD21 ' B' ' 586' ' ' LEU . 25.4 pttt -58.8 -30.26 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.66 -66.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 38.1 mtm -61.53 -54.35 44.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.731 HD21 HD12 ' B' ' 593' ' ' LEU . 8.7 tt -51.25 -60.93 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.33 -31.97 67.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -64.79 -46.59 81.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.906 0.384 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.48 -31.39 57.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.459 HD13 ' HG ' ' B' ' 562' ' ' LEU . 0.3 OUTLIER -75.59 -26.92 58.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.529 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.39 -58.17 9.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.76 -41.28 4.42 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.597 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.6 OUTLIER -51.49 -37.17 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.773 HD12 ' HB ' ' B' ' 582' ' ' THR . 95.2 mt -75.47 -33.83 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -57.28 -21.09 32.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.98 -35.26 45.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.753 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.2 OUTLIER -115.18 -35.06 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.789 ' CE1' HG21 ' B' ' 611' ' ' VAL . 6.1 m80 -130.27 76.05 78.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.561 0.696 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -7.14 20.29 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.716 2.278 . . . . 0.0 112.354 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.5 p -100.14 -51.21 3.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.452 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.96 12.9 18.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.23 -54.3 32.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.51 -50.7 35.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . 0.484 ' NZ ' HD22 ' B' ' 614' ' ' LEU . 14.7 mmtp -63.06 -48.08 80.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.663 HG22 HD22 ' B' ' 585' ' ' LEU . 15.7 mt -55.81 -60.29 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.773 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.6 t -56.9 -33.1 66.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 75' ' ' PRO . . . -61.44 -60.7 7.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.617 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 41.8 mtm -63.08 -43.39 98.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.663 HD22 HG22 ' B' ' 581' ' ' ILE . 6.5 mp -61.59 -29.15 69.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.619 HD21 ' HB2' ' B' ' 559' ' ' LYS . 7.3 tt -81.38 -20.78 39.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' B' ' 588' ' ' ILE . 0.9 OUTLIER -77.46 -56.93 4.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.03 -62.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 175.33 113.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.648 ' HB3' HD13 ' B' ' 562' ' ' LEU . 88.3 m-20 -52.99 -45.38 67.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.91 -45.32 60.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -60.28 -39.24 86.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.731 HD12 HD21 ' B' ' 562' ' ' LEU . 3.1 mt -64.67 -37.93 89.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 10.7 mt -64.86 -14.81 60.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -109.81 -18.16 13.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 28.4 mtm -91.68 -34.26 14.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.827 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -65.03 -12.09 46.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.827 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.1 pt-20 -94.25 30.76 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 30.2 t -165.68 141.57 4.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.66 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.06 -19.43 52.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 21.2 m -91.96 -53.66 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.469 ' C ' HD13 ' B' ' 603' ' ' LEU . 2.9 tm? -56.82 -59.21 5.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -55.14 -42.71 73.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.4 t -55.13 -52.35 63.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.459 ' HB3' HD21 ' B' ' 585' ' ' LEU . 30.8 mmmt -58.73 -57.63 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.753 HG11 ' HG3' ' B' ' 573' ' ' MET . 86.6 t -50.46 -53.91 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -56.17 -47.97 77.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . 0.423 ' O ' HG23 ' B' ' 613' ' ' VAL . 4.1 tp10 -57.56 -54.36 47.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.617 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.28 -60.15 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.789 HG21 ' CE1' ' B' ' 574' ' ' HIS . 38.5 t -51.05 -41.25 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.79 -41.1 94.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.686 HG21 ' HG ' ' A' ' 69' ' ' LEU . 97.4 t -64.78 -43.42 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.484 HD22 ' NZ ' ' B' ' 580' ' ' LYS . 31.9 mt -55.15 -41.84 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.876 0.369 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.696 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.2 pp -112.7 -176.61 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.487 ' ND2' ' HB2' ' A' ' 73' ' ' ALA . 31.2 p-10 -99.81 134.58 42.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.599 HG23 HD23 ' B' ' 614' ' ' LEU . 14.6 p -88.36 -19.44 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.2 -19.52 63.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.487 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . . . -51.51 117.46 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 155.81 2.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.554 0.692 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.525 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.4 Cg_endo -69.76 -90.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.304 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -172.57 -170.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.548 HG13 ' CG ' ' B' ' 560' ' ' GLN . 2.9 p -109.65 83.9 2.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.624 2.216 . . . . 0.0 112.39 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.518 HD22 HD11 ' B' ' 594' ' ' LEU . 5.4 mp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.5 81.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 5.0 p -96.0 27.16 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -127.38 160.96 57.44 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.634 0.73 . . . . 0.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.1 Cg_endo -69.77 168.02 22.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -8.63 24.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -96.55 -43.94 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -61.46 -25.37 67.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . 0.426 ' CD ' HD23 ' B' ' 550' ' ' LEU . 6.5 mt-30 -55.48 -71.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.498 ' HE2' HG12 ' A' ' 77' ' ' VAL . 14.9 ptmt -51.86 -32.84 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . 0.548 ' CG ' HG13 ' A' ' 77' ' ' VAL . 55.4 mt-30 -64.15 -69.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.9 mtm -56.16 -54.93 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.701 HD21 HD12 ' B' ' 593' ' ' LEU . 9.2 tt -51.59 -60.05 3.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.65 -43.34 86.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.492 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -56.51 -49.09 75.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.934 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -25.59 61.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.5 -27.25 58.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.519 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.16 -58.32 9.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.3 Cg_endo -69.74 -36.97 9.87 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.535 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.9 OUTLIER -52.13 -44.5 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.465 HG21 ' HB ' ' B' ' 581' ' ' ILE . 12.0 mt -75.49 -33.36 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -58.64 -19.53 39.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.22 -24.07 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.639 ' CE ' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -128.29 -38.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.701 ' CD2' HG21 ' B' ' 611' ' ' VAL . 58.9 m80 -125.98 73.7 71.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.02 19.99 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.519 ' OG1' HD22 ' B' ' 577' ' ' LEU . 11.6 p -93.86 -54.56 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.519 HD22 ' OG1' ' B' ' 576' ' ' THR . 2.5 mm? -92.84 19.15 7.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -53.36 -52.42 59.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.01 -51.15 47.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.57 -47.03 85.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.587 HG22 HD22 ' B' ' 585' ' ' LEU . 22.1 mt -57.14 -60.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.418 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.3 t -55.47 -33.92 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.12 -60.36 8.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.608 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 39.3 mtm -63.67 -42.16 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.838 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.587 HD22 HG22 ' B' ' 581' ' ' ILE . 7.5 mp -63.05 -27.24 69.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.526 ' HA ' HD11 ' B' ' 593' ' ' LEU . 2.2 tt -83.64 -20.39 33.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' B' ' 588' ' ' ILE . 15.5 tp10 -77.71 -54.56 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.459 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.36 -61.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.39 107.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.655 ' HB3' HD13 ' B' ' 562' ' ' LEU . 84.0 m-20 -51.83 -44.74 63.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -43.31 61.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -62.92 -37.5 87.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.701 HD12 HD21 ' B' ' 562' ' ' LEU . 2.2 mt -68.19 -35.67 78.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.518 HD11 HD22 ' B' ' 550' ' ' LEU . 12.7 mt -61.62 -16.46 48.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -118.22 -13.09 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 16.0 ttp -87.55 -22.0 25.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.73 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -71.08 -6.23 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.543 ' N ' HD13 ' B' ' 597' ' ' LEU . 25.1 mt-10 -93.69 -10.55 34.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.78 125.69 33.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.688 0.756 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.43 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.69 -18.16 64.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 68.8 m -83.81 -51.84 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.639 HD11 ' CE ' ' B' ' 573' ' ' MET . 8.1 tp -50.97 -62.74 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -44.29 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 12.7 t -57.01 -53.32 59.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -52.94 -54.42 35.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.493 HG21 ' CE ' ' B' ' 573' ' ' MET . 97.4 t -55.14 -50.33 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.23 -52.35 63.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.3 -53.85 48.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.608 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -50.8 -60.37 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.701 HG21 ' CD2' ' B' ' 574' ' ' HIS . 61.9 t -49.71 -42.18 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.58 91.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.696 HG21 ' HG ' ' A' ' 69' ' ' LEU . 97.9 t -63.83 -44.76 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.599 HD23 HG23 ' A' ' 71' ' ' VAL . 39.6 mt -55.56 -34.6 64.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.78 0.324 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.689 HD12 HG11 ' B' ' 613' ' ' VAL . 3.1 pp -125.36 -175.38 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.457 ' ND2' ' HB2' ' A' ' 73' ' ' ALA . 7.4 p-10 -108.41 138.87 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.554 ' HB ' HG12 ' B' ' 613' ' ' VAL . 9.4 p -88.5 -10.21 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -79.09 -2.86 42.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.457 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . . . -68.3 122.46 18.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -52.18 154.79 3.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -89.84 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.313 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.488 ' HB3' HD22 ' B' ' 586' ' ' LEU . 8.3 p90 -172.44 -170.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.665 HG23 ' HG3' ' B' ' 560' ' ' GLN . 5.2 m -109.86 83.33 2.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.459 ' HG ' HD11 ' B' ' 594' ' ' LEU . 2.3 mm? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.65 93.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 19.7 m -94.14 40.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -146.18 160.44 42.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.707 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.3 Cg_endo -69.83 168.22 22.29 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -8.19 22.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -97.76 -41.4 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -68.77 -23.41 64.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -51.98 -70.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.649 ' HB2' HD11 ' B' ' 586' ' ' LEU . 0.7 OUTLIER -57.16 -30.7 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . 0.665 ' HG3' HG23 ' A' ' 77' ' ' VAL . 19.2 mt-30 -62.13 -63.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 33.5 mtm -66.91 -56.85 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.777 HD21 HD12 ' B' ' 593' ' ' LEU . 9.7 tt -52.11 -54.19 33.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.97 -49.74 75.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.49 -39.1 75.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -30.69 60.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.04 -25.69 55.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.528 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.77 -57.96 10.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.707 . . . . 0.0 110.838 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.74 -42.4 3.46 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.629 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.8 OUTLIER -51.56 -36.57 45.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.696 HD12 ' HB ' ' B' ' 582' ' ' THR . 97.9 mt -76.45 -32.19 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' B' ' 567' ' ' PHE . 30.0 mt-30 -58.8 -19.62 42.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -55.58 -24.19 31.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.61 ' CE ' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -127.99 -42.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.601 ' CD2' HG21 ' B' ' 611' ' ' VAL . 37.7 m80 -123.16 75.05 50.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.71 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.64 19.1 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.547 ' OG1' HD22 ' B' ' 577' ' ' LEU . 11.2 p -96.4 -53.42 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.547 HD22 ' OG1' ' B' ' 576' ' ' THR . 2.5 mm? -91.28 16.62 9.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.94 -37.16 60.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -66.73 -53.13 29.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . 0.584 ' HD3' HD13 ' B' ' 614' ' ' LEU . 20.8 mtpt -63.1 -43.21 99.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.48 HG22 HD13 ' B' ' 570' ' ' ILE . 26.8 mt -59.07 -60.22 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.696 ' HB ' HD12 ' B' ' 570' ' ' ILE . 6.2 t -56.74 -32.86 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.44 -59.92 8.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.652 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 39.2 mtm -62.45 -43.87 97.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.522 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.5 mp -61.33 -30.6 70.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' B' ' 559' ' ' LYS . 6.0 tt -80.91 -19.83 43.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.3 tm-20 -77.54 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.4 OUTLIER -34.37 -62.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.66 112.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.725 ' HB3' HD13 ' B' ' 562' ' ' LEU . 76.1 m-20 -52.54 -48.15 66.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.07 -41.89 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -62.24 -37.16 84.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.777 HD12 HD21 ' B' ' 562' ' ' LEU . 1.8 mt -67.81 -39.99 83.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.459 HD11 ' HG ' ' B' ' 550' ' ' LEU . 12.3 mt -56.73 -21.37 27.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.37 -23.41 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . 0.446 ' HE3' ' HG3' ' B' ' 606' ' ' LYS . 0.0 OUTLIER -73.85 -47.14 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.881 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -63.17 -14.26 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.881 ' N ' HD13 ' B' ' 597' ' ' LEU . 70.5 mt-10 -67.79 -16.88 64.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.03 144.67 45.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.672 0.748 . . . . 0.0 110.817 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.64 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.95 -18.03 62.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.3 m -86.24 -55.13 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.61 HD11 ' CE ' ' B' ' 573' ' ' MET . 6.0 tp -52.31 -62.48 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -52.39 -42.74 64.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 13.0 t -56.25 -51.99 66.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.446 ' HG3' ' HE3' ' B' ' 596' ' ' MET . 28.9 mmmt -55.81 -54.43 44.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.547 HG21 ' CE ' ' B' ' 573' ' ' MET . 91.6 t -51.4 -48.59 33.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.91 -53.77 52.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -53.47 -53.18 55.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.652 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -50.8 -60.22 3.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.601 HG21 ' CD2' ' B' ' 574' ' ' HIS . 83.0 t -49.87 -42.15 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.3 91.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.689 HG11 HD12 ' A' ' 69' ' ' LEU . 70.1 t -65.69 -39.42 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.584 HD13 ' HD3' ' B' ' 580' ' ' LYS . 13.8 mt -51.45 -30.02 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.41 ' CD ' HG22 ' B' ' 613' ' ' VAL . 6.4 tp60 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.694 ' HG ' HG21 ' B' ' 613' ' ' VAL . 4.0 pp -111.74 -175.03 2.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -109.92 137.24 47.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.444 ' HB ' HG12 ' B' ' 613' ' ' VAL . 11.1 p -84.34 -10.68 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -69.89 -11.29 60.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.16 122.51 14.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -51.24 157.19 1.65 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.711 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -89.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.359 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.701 ' HB3' HD22 ' B' ' 586' ' ' LEU . 7.8 p90 -172.28 -169.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.2 t -109.96 82.88 2.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.35 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.668 HD22 HD11 ' B' ' 594' ' ' LEU . 5.3 mp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.784 0.326 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.2 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 29.1 m -96.82 25.7 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -121.94 160.44 47.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.103 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.8 Cg_endo -69.75 167.67 23.75 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.746 2.297 . . . . 0.0 112.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -8.79 24.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.372 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -95.27 -45.99 6.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . 0.404 ' O ' ' HE2' ' B' ' 561' ' ' MET . 48.3 mt-10 -61.79 -23.29 66.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . 0.454 ' CD ' HD23 ' B' ' 550' ' ' LEU . 5.7 mt-30 -55.36 -70.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.413 ' HB2' HD11 ' B' ' 586' ' ' LEU . 21.4 pttt -54.24 -32.52 56.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -63.86 -66.64 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . 0.404 ' HE2' ' O ' ' B' ' 557' ' ' GLU . 45.3 mtm -60.66 -59.92 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.67 HD23 HD13 ' B' ' 566' ' ' LEU . 6.2 tt -52.38 -54.49 31.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.52 -55.99 27.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -53.6 -37.97 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 -74.81 -30.18 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.67 HD13 HD23 ' B' ' 562' ' ' LEU . 1.4 mp -76.14 -25.52 55.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.79 -57.73 11.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 0.0 110.884 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.79 -40.78 4.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.732 2.288 . . . . 0.0 112.324 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.625 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.9 OUTLIER -52.89 -38.06 61.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.592 HD13 HG22 ' B' ' 581' ' ' ILE . 76.4 mt -75.36 -33.5 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' B' ' 575' ' ' PRO . 31.2 mt-30 -58.62 -19.94 43.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.83 -27.42 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.716 ' HE3' HG21 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -124.25 -39.27 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.722 ' CE1' HG21 ' B' ' 611' ' ' VAL . 6.4 m80 -125.27 73.52 67.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.696 . . . . 0.0 110.828 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . 0.404 ' HA ' ' HG2' ' B' ' 571' ' ' GLN . 54.1 Cg_endo -69.79 -7.22 20.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.2 p -98.68 -42.32 7.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.453 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -101.14 10.13 41.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -50.51 -31.36 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.77 -73.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -43.29 50.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.681 HD11 HG22 ' B' ' 611' ' ' VAL . 54.4 mt -54.08 -60.85 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -30.64 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.198 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.11 -60.26 8.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.618 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 33.1 mtm -64.86 -45.92 84.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.458 ' O ' HD11 ' B' ' 593' ' ' LEU . 9.7 mp -56.72 -31.76 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 76' ' ' PHE . 4.3 tt -83.33 -18.75 37.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' B' ' 588' ' ' ILE . 46.3 mm-40 -76.99 -56.24 4.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.6 OUTLIER -32.76 -61.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.87 108.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -51.49 -45.57 62.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -42.22 62.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.82 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.51 -35.53 80.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.54 HD11 ' HA ' ' B' ' 586' ' ' LEU . 2.0 mt -70.3 -35.41 73.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.668 HD11 HD22 ' B' ' 550' ' ' LEU . 16.9 mt -61.06 -16.96 49.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.42 -14.55 9.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 21.8 ttp -85.31 -22.39 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.737 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.27 -7.15 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.526 ' N ' HD13 ' B' ' 597' ' ' LEU . 17.9 mt-10 -93.03 -13.35 28.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.03 125.16 33.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.44 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -61.08 -23.85 65.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 14.3 m -83.22 -53.41 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.528 HD11 ' HE3' ' B' ' 573' ' ' MET . 2.5 tm? -51.33 -56.44 13.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -59.57 -36.88 77.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.7 t -63.96 -47.84 78.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.03 -58.71 7.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.716 HG21 ' HE3' ' B' ' 573' ' ' MET . 97.8 t -51.54 -51.38 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.87 -52.76 63.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . 0.411 ' O ' HG23 ' B' ' 613' ' ' VAL . 17.3 tp10 -54.18 -52.37 61.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.618 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.58 -59.85 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.722 HG21 ' CE1' ' B' ' 574' ' ' HIS . 39.4 t -50.78 -45.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -55.64 -43.31 76.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.694 HG21 ' HG ' ' A' ' 69' ' ' LEU . 95.8 t -63.11 -42.02 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 10.2 mt -51.23 -30.84 18.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.593 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -125.3 -176.49 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -102.38 138.12 39.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.571 HG23 ' CD2' ' B' ' 614' ' ' LEU . 6.8 p -88.33 -22.18 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -71.0 -15.84 62.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.64 117.92 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 160.24 1.04 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.42 ' HA ' ' HA3' ' B' ' 583' ' ' GLY . 53.9 Cg_endo -69.78 -90.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -172.69 -178.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.522 HG13 HE21 ' B' ' 560' ' ' GLN . 2.6 p -109.09 87.29 4.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.456 HD22 HD11 ' B' ' 594' ' ' LEU . 5.3 mp . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.809 0.338 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.79 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 15.4 t -95.4 23.09 6.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.596 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -122.89 160.59 48.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.681 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.596 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.79 167.54 24.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.76 24.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -92.01 -53.78 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -56.37 -25.19 48.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . 0.444 ' OE1' HD23 ' B' ' 550' ' ' LEU . 3.9 mt-30 -51.82 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.441 ' HB2' HD11 ' B' ' 586' ' ' LEU . 9.0 ptpp? -51.39 -30.26 18.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . 0.522 HE21 HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -63.39 -63.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 42.3 mtm -65.58 -55.52 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.706 HD13 ' OD1' ' B' ' 590' ' ' ASN . 4.6 tt -52.25 -54.62 28.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.04 -57.77 18.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -52.27 -38.82 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.359 . . . . 0.0 110.92 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -73.51 -30.85 63.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.664 HD13 HD23 ' B' ' 562' ' ' LEU . 1.4 mp -75.68 -24.52 56.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.514 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.0 -58.88 8.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.734 . . . . 0.0 110.849 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.73 -40.7 5.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.547 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.5 OUTLIER -51.66 -40.8 60.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.459 HG21 ' HB ' ' B' ' 581' ' ' ILE . 10.8 mt -75.73 -34.09 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' B' ' 575' ' ' PRO . 31.7 mt-30 -56.61 -20.51 21.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.49 -29.57 36.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.48 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -124.23 -37.91 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.725 ' CE1' HG11 ' B' ' 611' ' ' VAL . 53.9 m-70 -124.08 75.07 58.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . 0.401 ' HA ' ' HG2' ' B' ' 571' ' ' GLN . 53.5 Cg_endo -69.83 -7.1 20.21 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.22 -43.52 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.45 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -96.8 18.57 14.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.2 -55.84 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -51.69 -50.33 43.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.437 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . 0.6 ' HB3' HD11 ' B' ' 614' ' ' LEU . 6.1 mmtm -62.05 -48.44 80.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.641 HD11 HG22 ' B' ' 611' ' ' VAL . 25.3 mt -57.98 -61.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 7.7 t -53.42 -34.27 57.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 75' ' ' PRO . . . -62.02 -59.72 9.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.665 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 43.5 mtm -65.14 -42.57 93.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.549 HD22 HG22 ' B' ' 581' ' ' ILE . 9.8 mp -61.21 -30.08 70.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.598 ' HA ' HD11 ' B' ' 593' ' ' LEU . 5.2 tt -82.71 -19.23 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' B' ' 588' ' ' ILE . 8.0 tp10 -77.21 -56.4 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.6 OUTLIER -33.59 -62.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.62 110.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.706 ' OD1' HD13 ' B' ' 562' ' ' LEU . 37.1 m-20 -51.95 -42.69 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.14 -39.49 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -67.42 -33.45 75.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.598 HD11 ' HA ' ' B' ' 586' ' ' LEU . 3.1 mt -70.99 -36.97 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.456 HD11 HD22 ' B' ' 550' ' ' LEU . 12.4 mt -63.87 -15.89 60.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -114.64 -16.36 11.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . 0.455 ' HE3' ' HA ' ' B' ' 593' ' ' LEU . 4.9 tmm? -91.64 -31.85 15.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.833 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -65.04 -12.17 47.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.833 ' N ' HD13 ' B' ' 597' ' ' LEU . 1.2 pt-20 -94.95 31.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 16.9 t -152.16 134.51 8.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.711 0.767 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.624 2.216 . . . . 0.0 112.366 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.28 -24.77 66.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -43.75 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.466 ' C ' HD13 ' B' ' 603' ' ' LEU . 2.8 tm? -61.53 -56.92 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -35.21 73.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 11.6 t -62.22 -52.63 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -60.02 -58.1 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.555 ' O ' HG23 ' B' ' 611' ' ' VAL . 78.5 t -51.51 -52.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.71 -48.51 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -56.54 -54.34 46.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.665 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.03 -60.12 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.725 HG11 ' CE1' ' B' ' 574' ' ' HIS . 38.3 t -51.34 -39.45 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.41 99.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.593 HG21 ' HG ' ' A' ' 69' ' ' LEU . 88.1 t -64.68 -39.71 86.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' B' ' 580' ' ' LYS . 36.8 mt -52.84 -30.32 32.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.86 0.362 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.655 ' CD1' HG21 ' B' ' 613' ' ' VAL . 2.5 pp -121.9 169.88 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -87.33 137.34 32.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.8 p -92.6 -22.22 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -70.03 -10.95 60.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.6 118.72 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -51.87 137.81 34.65 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.538 0.685 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.701 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.8 Cg_endo -69.73 -89.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -171.61 -173.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.794 HG23 ' HG2' ' B' ' 560' ' ' GLN . 5.0 m -109.48 85.35 3.61 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.644 HD22 ' HA ' ' B' ' 558' ' ' GLN . 5.1 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -62.37 -52.51 63.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 18.5 t -95.8 33.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -132.9 160.34 68.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 111.082 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.81 167.85 23.31 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.388 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -96.86 -42.9 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . 0.433 ' HB3' ' HE2' ' B' ' 561' ' ' MET . 40.8 mt-10 -64.19 -22.53 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . 0.644 ' HA ' HD22 ' B' ' 550' ' ' LEU . 6.3 mt-30 -54.58 -64.16 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.632 ' HB2' HD21 ' B' ' 586' ' ' LEU . 18.5 ptpt -59.04 -33.98 71.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . 0.794 ' HG2' HG23 ' A' ' 77' ' ' VAL . 51.2 mt-30 -63.11 -65.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . 0.433 ' HE2' ' HB3' ' B' ' 557' ' ' GLU . 54.7 mtm -58.63 -57.58 12.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.7 HD21 HD12 ' B' ' 593' ' ' LEU . 9.2 tt -50.45 -60.67 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.17 -39.74 81.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.52 -47.64 83.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -75.03 -26.15 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -26.72 57.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.19 -58.19 10.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.881 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.75 -40.17 5.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.764 2.309 . . . . 0.0 112.324 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.566 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -53.87 -37.18 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.615 HD13 HG22 ' B' ' 581' ' ' ILE . 94.7 mt -75.41 -34.39 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -58.06 -20.41 39.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.67 -30.27 21.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.758 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -122.64 -37.4 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.704 ' CD2' HG21 ' B' ' 611' ' ' VAL . 9.2 m-70 -125.89 73.84 70.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.723 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -7.81 22.01 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.65 2.234 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.4 p -95.15 -56.68 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.452 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.61 11.76 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.02 -33.78 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.91 -72.46 0.66 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . 0.456 ' HG2' HD22 ' B' ' 614' ' ' LEU . 1.0 OUTLIER -49.36 -41.12 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 110.932 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.615 HG22 HD13 ' B' ' 570' ' ' ILE . 51.2 mt -55.01 -60.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -30.41 66.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.17 -60.16 7.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.75 ' HE1' ' HB1' ' B' ' 610' ' ' ALA . 34.2 mtm -62.68 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.512 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.6 mp -61.75 -30.63 70.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 75' ' ' PRO . 8.3 tt -81.4 -19.68 42.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -77.34 -57.59 3.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.4 OUTLIER -33.92 -62.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.86 112.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.639 ' HB3' HD13 ' B' ' 562' ' ' LEU . 74.6 m-20 -51.71 -48.82 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -41.67 59.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.6 -34.75 77.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.7 HD12 HD21 ' B' ' 562' ' ' LEU . 1.9 mt -70.74 -38.89 73.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 27.3 mt -60.86 -18.14 54.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -108.87 -24.56 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 11.6 mtm -77.47 -42.23 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.869 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -62.35 -14.84 44.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.869 ' N ' HD13 ' B' ' 597' ' ' LEU . 57.1 mt-10 -69.35 -25.77 64.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.35 147.58 50.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.747 . . . . 0.0 110.83 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -44.2 2.2 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.701 2.268 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -56.9 -23.63 46.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.5 m -90.31 -53.86 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.471 ' C ' HD13 ' B' ' 603' ' ' LEU . 2.6 tm? -56.02 -61.39 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -52.57 -46.41 66.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.6 t -52.07 -51.72 55.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -57.67 -56.65 19.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.758 HG11 ' HG3' ' B' ' 573' ' ' MET . 88.5 t -50.37 -52.1 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -57.2 -55.29 36.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -52.33 -53.01 49.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.75 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -51.01 -60.27 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.704 HG21 ' CD2' ' B' ' 574' ' ' HIS . 42.3 t -50.21 -39.62 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.33 98.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.655 HG21 ' CD1' ' A' ' 69' ' ' LEU . 76.5 t -63.97 -42.2 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.656 HD21 ' CE ' ' B' ' 584' ' ' MET . 7.6 mt -51.12 -31.48 19.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.838 0.351 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.691 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -129.88 -176.2 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.633 ' OD1' ' HB2' ' A' ' 73' ' ' ALA . 29.8 p-10 -100.61 135.74 41.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.528 ' HB ' HG12 ' B' ' 613' ' ' VAL . 13.2 p -83.62 -25.07 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.25 -3.96 45.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.633 ' HB2' ' OD1' ' A' ' 70' ' ' ASN . . . -52.48 130.56 32.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -49.92 138.72 18.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.478 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.6 Cg_endo -69.84 -89.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.555 ' HB3' HD13 ' B' ' 586' ' ' LEU . 11.1 p90 -172.02 -169.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.612 HG23 ' CE ' ' B' ' 559' ' ' LYS . 97.7 t -109.89 82.92 2.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.6 0.714 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.237 . . . . 0.0 112.321 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' B' ' 558' ' ' GLN . 6.3 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.807 0.337 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.38 60.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 1.2 t -95.19 39.32 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -141.44 160.37 57.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.718 . . . . 0.0 111.083 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.8 Cg_endo -69.8 168.02 22.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.636 2.224 . . . . 0.0 112.348 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -8.77 24.45 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -96.63 -42.71 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.89 -22.49 66.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . 0.474 ' HA ' HD22 ' B' ' 550' ' ' LEU . 4.2 mt-30 -54.37 -72.25 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.612 ' CE ' HG23 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -53.85 -30.74 46.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -64.58 -67.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 50.8 mtm -57.72 -53.42 58.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.67 HD21 HD12 ' B' ' 593' ' ' LEU . 10.1 tt -52.64 -60.14 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.54 -47.03 79.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.41 -48.32 68.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -71.29 -27.23 63.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.5 -24.8 56.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.508 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.47 -58.94 7.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.908 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.78 -38.48 7.69 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.557 ' O ' HD13 ' B' ' 569' ' ' LEU . 1.0 OUTLIER -51.44 -43.07 61.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.484 HD12 ' HB ' ' B' ' 582' ' ' THR . 19.7 mt -75.83 -34.05 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' B' ' 575' ' ' PRO . 65.3 mt-30 -57.39 -19.85 25.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.0 -27.05 17.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.486 ' HE3' HG21 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -127.87 -42.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.647 ' CD2' HG21 ' B' ' 611' ' ' VAL . 56.3 m80 -119.37 74.22 15.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . 0.4 ' HA ' ' HG2' ' B' ' 571' ' ' GLN . 53.7 Cg_endo -69.8 -7.29 20.69 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 3.2 p -95.01 -53.31 3.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.462 ' HG ' HD12 ' B' ' 614' ' ' LEU . 2.7 mm? -92.49 19.27 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.47 -45.11 73.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -60.46 -50.82 63.38 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . 0.565 ' HD3' HD22 ' B' ' 614' ' ' LEU . 23.8 mttp -62.85 -44.26 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.716 0.293 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.531 HG22 HD22 ' B' ' 585' ' ' LEU . 25.0 mt -58.99 -60.94 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.484 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.2 t -55.28 -34.02 63.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.49 -59.86 9.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.674 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 42.7 mtm -61.89 -45.81 92.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.54 ' O ' HD21 ' B' ' 593' ' ' LEU . 6.9 mp -60.12 -29.4 68.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' B' ' 559' ' ' LYS . 8.8 tt -81.22 -20.26 41.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -77.58 -57.22 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -34.05 -62.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.27 113.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.556 ' HB3' HD13 ' B' ' 562' ' ' LEU . 77.6 m-20 -52.72 -45.46 66.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.4 t -50.91 -44.95 60.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -60.62 -38.7 85.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.67 HD12 HD21 ' B' ' 562' ' ' LEU . 2.7 mt -65.61 -37.42 86.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.31 -15.26 59.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -110.45 -18.36 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 29.5 mtm -90.79 -34.03 15.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.819 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -65.01 -12.01 45.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.972 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.819 ' N ' HD13 ' B' ' 597' ' ' LEU . 0.2 OUTLIER -94.17 30.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.64 141.63 6.88 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.686 0.755 . . . . 0.0 110.859 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.16 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.347 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.3 -21.57 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.3 m -85.72 -56.31 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.418 ' O ' HG23 ' B' ' 607' ' ' VAL . 13.0 tp -54.94 -54.41 43.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -57.57 -45.34 85.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.3 t -55.55 -55.28 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.44 ' HB3' HD21 ' B' ' 585' ' ' LEU . 31.1 mmmt -55.33 -59.1 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.558 ' O ' HG23 ' B' ' 611' ' ' VAL . 99.6 t -50.51 -52.36 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -56.29 -56.94 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -51.74 -53.72 36.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.674 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -50.27 -60.09 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.647 HG21 ' CD2' ' B' ' 574' ' ' HIS . 62.7 t -50.53 -38.86 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.13 99.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.691 HG21 ' HG ' ' A' ' 69' ' ' LEU . 72.2 t -63.1 -41.93 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.565 HD22 ' HD3' ' B' ' 580' ' ' LYS . 16.1 mt -50.97 -31.07 16.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.829 0.347 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.677 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.6 pp -132.56 -175.89 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -110.0 138.52 46.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.496 ' HB ' HG12 ' B' ' 613' ' ' VAL . 9.6 p -88.22 -7.6 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -76.36 -12.42 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.468 ' HB1' ' HG3' ' B' ' 587' ' ' GLU . . . -61.17 117.13 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -51.51 156.86 1.98 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.663 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.8 Cg_endo -69.74 -90.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -172.52 -168.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.5 m -109.98 82.32 2.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.645 HD22 HD11 ' B' ' 594' ' ' LEU . 10.1 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.89 -49.03 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 4.5 m -101.96 29.34 5.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -124.52 160.43 53.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.71 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.0 Cg_endo -69.78 167.72 23.65 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.642 2.228 . . . . 0.0 112.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -10.18 27.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -94.72 -44.42 7.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -61.22 -24.77 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -55.38 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.51 ' HB2' HD11 ' B' ' 586' ' ' LEU . 15.0 ptpt -53.58 -34.63 59.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -63.47 -66.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.1 mtm -58.27 -58.15 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' B' ' 590' ' ' ASN . 10.2 tt -52.38 -60.01 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.22 -47.95 60.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -54.19 -44.78 71.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 7.3 mmt-85 -73.97 -26.63 60.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.62 -26.67 57.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.51 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -48.92 -58.66 7.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.66 -39.71 6.37 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.734 2.29 . . . . 0.0 112.351 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.492 HD13 ' C ' ' B' ' 569' ' ' LEU . 3.5 tm? -51.72 -40.36 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 22.0 mt -75.27 -33.32 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -58.36 -20.18 41.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.32 -31.33 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.612 ' HE3' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -120.61 -26.67 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.588 ' NE2' HG21 ' B' ' 611' ' ' VAL . 4.8 m80 -137.47 72.65 50.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.39 20.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.3 p -95.91 -57.42 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.454 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.43 12.58 18.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.31 -32.34 10.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.84 -74.69 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.3 -42.36 30.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.57 HD11 HG22 ' B' ' 611' ' ' VAL . 60.4 mt -55.0 -60.01 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -31.84 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.24 -58.95 9.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.681 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 32.6 mtm -64.82 -42.12 95.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.5 ' O ' HD11 ' B' ' 593' ' ' LEU . 9.6 mp -61.24 -30.44 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 75' ' ' PRO . 2.3 tt -83.11 -18.95 37.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.468 ' HG3' ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -76.99 -55.86 5.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.0 -61.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 174.78 104.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.606 ' HB3' HD13 ' B' ' 562' ' ' LEU . 70.9 m-20 -51.62 -42.58 62.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -37.2 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.86 -32.57 71.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' B' ' 586' ' ' LEU . 2.5 mt -72.99 -33.96 66.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.645 HD11 HD22 ' B' ' 550' ' ' LEU . 12.1 mt -62.83 -16.77 59.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -118.7 -16.0 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 5.6 tmm? -88.82 -18.67 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.737 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.73 -7.19 37.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.549 ' N ' HD13 ' B' ' 597' ' ' LEU . 16.7 mt-10 -93.04 -13.42 28.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.83 125.34 42.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.868 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -48.09 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 0.0 112.345 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -67.35 -18.86 65.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 70.0 m -83.66 -53.59 5.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.612 HD11 ' HE3' ' B' ' 573' ' ' MET . 7.5 tp -51.17 -62.22 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -53.94 -40.41 66.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 16.9 t -60.05 -53.04 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -54.81 -56.33 20.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.591 HG11 ' HG3' ' B' ' 573' ' ' MET . 94.5 t -51.79 -44.44 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.15 -56.99 15.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . 0.442 ' O ' HG23 ' B' ' 613' ' ' VAL . 1.6 mp0 -51.8 -50.1 61.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.681 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -52.86 -59.68 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.588 HG21 ' NE2' ' B' ' 574' ' ' HIS . 97.6 t -49.97 -41.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.4 96.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.677 HG21 ' HG ' ' A' ' 69' ' ' LEU . 96.0 t -65.58 -37.42 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.585 HD21 ' CE ' ' B' ' 584' ' ' MET . 18.6 mt -50.79 -30.86 15.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.688 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -117.81 -176.07 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -102.36 137.01 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.554 ' HB ' HG12 ' B' ' 613' ' ' VAL . 7.9 p -90.8 -20.85 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -71.06 -12.98 61.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.578 ' HB1' ' OE1' ' B' ' 587' ' ' GLU . . . -56.1 121.82 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -51.65 161.02 0.92 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.555 0.693 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -88.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -172.1 -169.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.582 HG23 ' HD2' ' B' ' 559' ' ' LYS . 97.6 t -109.99 82.43 2.47 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.608 0.718 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 179.889 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.832 0.348 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.35 73.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.8 m -96.26 33.65 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -130.2 160.22 66.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 111.061 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.73 167.7 23.64 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -9.72 26.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -95.25 -43.32 8.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.37 -25.1 67.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.11 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.582 ' HD2' HG23 ' A' ' 77' ' ' VAL . 18.7 pttt -51.87 -30.84 25.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.6 -65.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 49.0 mtm -61.42 -57.46 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.635 HD21 HD12 ' B' ' 593' ' ' LEU . 9.6 tt -51.53 -58.41 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.01 -37.12 77.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.95 -41.02 95.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -76.53 -33.56 58.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.3 mp -75.97 -26.18 56.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -48.87 -57.96 9.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 0.0 110.842 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.3 Cg_endo -69.77 -42.44 3.39 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.73 2.286 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.58 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.5 OUTLIER -51.87 -35.38 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.759 HD12 ' HB ' ' B' ' 582' ' ' THR . 95.9 mt -75.72 -33.22 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.99 -20.21 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -54.09 -32.18 54.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.709 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.1 OUTLIER -118.96 -30.83 4.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.718 ' CE1' HG11 ' B' ' 611' ' ' VAL . 21.7 m-70 -135.16 75.47 59.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.89 22.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.2 p -99.81 -50.15 4.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.471 ' HG ' HG13 ' B' ' 611' ' ' VAL . 2.8 mm? -91.82 15.14 13.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.08 -55.23 29.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.63 -50.09 37.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . 0.52 ' HB2' HD11 ' B' ' 614' ' ' LEU . 31.7 mmmt -63.33 -47.72 81.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.624 HD11 HG22 ' B' ' 611' ' ' VAL . 24.2 mt -57.56 -61.09 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.759 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.7 t -54.09 -34.71 60.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.14 -59.86 9.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.68 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 39.9 mtm -65.1 -42.99 93.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.576 HD22 HG22 ' B' ' 581' ' ' ILE . 9.9 mp -61.85 -27.38 68.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.59 ' HA ' HD11 ' B' ' 593' ' ' LEU . 6.1 tt -83.3 -21.44 33.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.578 ' OE1' ' HB1' ' A' ' 73' ' ' ALA . 7.9 tt0 -77.12 -54.94 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.4 OUTLIER -33.69 -61.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.78 109.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.563 ' OD1' HD22 ' B' ' 562' ' ' LEU . 71.8 m-20 -52.12 -43.85 64.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.5 -39.34 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -65.61 -34.85 79.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.635 HD12 HD21 ' B' ' 562' ' ' LEU . 1.7 mt -71.09 -39.53 72.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.08 -16.74 47.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -116.48 -12.74 10.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -82.77 -29.39 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.719 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.63 -5.99 28.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.55 ' N ' HD13 ' B' ' 597' ' ' LEU . 21.8 mt-10 -83.88 2.39 38.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.5 t -140.65 132.46 14.13 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.67 0.748 . . . . 0.0 110.839 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.06 -21.72 59.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 50.1 m -86.25 -53.26 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.461 ' C ' HD13 ' B' ' 603' ' ' LEU . 2.4 tm? -52.62 -57.76 8.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -59.54 -35.75 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -51.57 69.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -62.95 -51.59 66.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.709 HG11 ' HG3' ' B' ' 573' ' ' MET . 94.1 t -52.28 -52.91 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.97 -51.6 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . 0.421 ' O ' HG23 ' B' ' 613' ' ' VAL . 15.2 mm-40 -55.42 -52.29 64.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.68 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.83 -59.92 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.718 HG11 ' CE1' ' B' ' 574' ' ' HIS . 40.7 t -50.83 -41.97 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.11 94.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.688 HG21 ' HG ' ' A' ' 69' ' ' LEU . 84.1 t -63.7 -39.26 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.52 HD11 ' HB2' ' B' ' 580' ' ' LYS . 45.8 mt -51.1 -35.44 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.798 0.332 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.692 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.5 pp -127.69 -176.34 3.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -103.53 135.54 44.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.562 ' HB ' HG12 ' B' ' 613' ' ' VAL . 10.7 p -87.06 -18.43 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -70.1 -20.41 63.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.56 123.98 11.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -52.02 160.43 1.18 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -89.02 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.361 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CB ' HD13 ' B' ' 586' ' ' LEU . 10.6 p90 -172.06 -168.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.515 HG23 ' CE ' ' B' ' 559' ' ' LYS . 84.3 t -94.54 107.91 33.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.655 0.74 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 77' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.835 0.35 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -109.3 -25.23 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 6.2 t -125.97 31.36 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -129.46 160.36 64.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 111.1 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.4 Cg_endo -69.79 169.28 19.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . 0.4 ' HG2' ' HB2' ' B' ' 554' ' ' PRO . 8.2 pt20 -95.27 -42.17 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.31 -16.86 63.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.51 -70.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.645 ' HB2' HD21 ' B' ' 586' ' ' LEU . 0.8 OUTLIER -55.31 -29.77 58.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.52 -65.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 57.3 mtm -60.09 -52.94 63.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.659 HD21 HD12 ' B' ' 593' ' ' LEU . 9.4 tt -51.42 -60.27 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.93 -31.62 72.8 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.432 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -67.21 -43.35 82.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -76.77 -33.87 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.82 -26.61 57.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -48.51 -58.0 9.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.672 0.749 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.76 -41.86 3.9 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.606 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.7 OUTLIER -51.41 -36.11 42.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.724 HD12 ' HB ' ' B' ' 582' ' ' THR . 96.4 mt -75.52 -33.78 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.1 -21.36 31.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.979 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -50.87 -31.86 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.761 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -120.29 -36.07 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.793 ' CE1' HG21 ' B' ' 611' ' ' VAL . 6.9 m80 -128.41 75.44 79.24 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -7.77 21.93 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.3 p -99.93 -50.08 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.458 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -91.11 13.05 18.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.62 -54.09 37.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.86 -50.14 39.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . 0.562 ' HB2' HD11 ' B' ' 614' ' ' LEU . 10.5 mmmm -63.48 -47.29 82.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.725 0.297 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.535 HG22 HD13 ' B' ' 570' ' ' ILE . 16.3 mt -56.91 -60.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.724 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.8 t -56.87 -34.12 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.97 -59.62 9.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.656 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 41.6 mtm -62.27 -46.37 89.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.826 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.558 HD21 ' HB3' ' B' ' 606' ' ' LYS . 7.6 mp -59.49 -29.34 67.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.645 HD21 ' HB2' ' B' ' 559' ' ' LYS . 8.7 tt -81.44 -20.88 39.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' B' ' 588' ' ' ILE . 4.2 tm-20 -77.86 -56.86 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -33.62 -62.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.14 113.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.527 ' HB3' HD13 ' B' ' 562' ' ' LEU . 99.4 m-20 -53.17 -46.16 68.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.11 -45.12 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -60.54 -40.43 91.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.659 HD12 HD21 ' B' ' 562' ' ' LEU . 3.2 mt -63.3 -37.96 89.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.39 -15.15 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -110.39 -17.25 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 29.4 mtm -91.84 -34.51 14.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.82 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -64.69 -12.51 47.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.82 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.5 pt-20 -94.16 30.76 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.31 137.79 9.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 110.91 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -48.96 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.747 2.298 . . . . 0.0 112.339 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -64.19 -15.82 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 71.2 m -90.42 -48.97 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.481 ' C ' HD13 ' B' ' 603' ' ' LEU . 3.2 tm? -53.49 -63.94 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -54.65 -43.86 72.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.5 t -53.16 -52.91 57.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . 0.558 ' HB3' HD21 ' B' ' 585' ' ' LEU . 30.8 mmmt -59.29 -57.58 12.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.761 HG11 ' HG3' ' B' ' 573' ' ' MET . 92.4 t -50.05 -53.24 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -56.3 -53.63 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . 0.424 ' O ' HG23 ' B' ' 613' ' ' VAL . 14.3 tt0 -52.39 -53.23 47.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.656 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -52.02 -60.28 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.793 HG21 ' CE1' ' B' ' 574' ' ' HIS . 38.0 t -50.78 -37.16 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.29 93.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.692 HG21 ' HG ' ' A' ' 69' ' ' LEU . 89.2 t -65.15 -41.31 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' B' ' 580' ' ' LYS . 35.9 mt -51.24 -31.09 19.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.685 ' HG ' HG21 ' B' ' 613' ' ' VAL . 4.2 pp -110.49 -174.74 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -111.07 135.69 51.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.52 ' HB ' HG12 ' B' ' 613' ' ' VAL . 10.8 p -81.7 -10.32 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -70.01 -19.26 63.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.83 125.87 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -51.04 157.24 1.49 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.592 0.71 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -89.56 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.572 ' HB3' HD22 ' B' ' 586' ' ' LEU . 7.0 p90 -172.43 -170.24 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.0 t -109.88 83.17 2.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.635 2.223 . . . . 0.0 112.388 179.908 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.661 HD21 ' HB2' ' B' ' 562' ' ' LEU . 8.5 mp . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.2 -48.93 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 26.6 m -105.34 32.67 4.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -124.3 160.42 52.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.584 0.707 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.76 167.71 23.65 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.742 2.295 . . . . 0.0 112.338 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.8 27.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -95.71 -41.99 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . 0.404 ' HG2' ' HE1' ' B' ' 561' ' ' MET . 1.1 tp10 -67.0 -19.73 65.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . 0.475 ' HB3' HD23 ' B' ' 550' ' ' LEU . 4.6 mt-30 -58.5 -66.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.422 ' HB2' HD11 ' B' ' 586' ' ' LEU . 16.7 ptpt -53.14 -31.06 40.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -64.39 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . 0.404 ' HE1' ' HG2' ' B' ' 557' ' ' GLU . 45.8 mtm -61.7 -54.22 45.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.724 HD21 HD12 ' B' ' 593' ' ' LEU . 9.8 tt -53.57 -56.29 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.45 -44.7 96.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.66 -38.14 86.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -76.44 -32.84 58.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -25.66 55.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.534 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.63 -57.98 10.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.722 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.78 -45.26 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.543 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -51.61 -34.2 36.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.692 HD12 ' HB ' ' B' ' 582' ' ' THR . 88.4 mt -76.58 -31.88 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . 0.487 ' HG2' ' HB2' ' B' ' 578' ' ' ALA . 30.6 mt-30 -59.44 -19.53 48.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.75 -27.82 13.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.763 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -125.48 -37.03 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.609 ' CE1' HG21 ' B' ' 611' ' ' VAL . 22.7 m80 -128.34 75.56 78.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 110.828 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -7.81 22.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.712 2.274 . . . . 0.0 112.33 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.3 p -100.62 -46.15 5.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.464 HD23 ' HD2' ' B' ' 574' ' ' HIS . 2.8 mm? -92.93 15.27 15.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' B' ' 571' ' ' GLN . . . -54.08 -55.86 23.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.03 -50.91 31.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . 0.608 ' HD3' HD13 ' B' ' 614' ' ' LEU . 16.8 mttp -62.5 -49.14 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.519 HG22 HD22 ' B' ' 585' ' ' LEU . 23.7 mt -55.85 -60.26 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.692 ' HB ' HD12 ' B' ' 570' ' ' ILE . 9.3 t -56.63 -32.63 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.46 -60.4 8.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.66 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 36.4 mtm -63.37 -45.39 91.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.532 ' O ' HD11 ' B' ' 593' ' ' LEU . 7.7 mp -59.02 -31.46 68.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.572 HD22 ' HB3' ' A' ' 76' ' ' PHE . 6.5 tt -80.38 -19.86 45.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 20.3 tp10 -77.06 -58.4 3.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.51 -62.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.15 112.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.647 ' HB3' HD13 ' B' ' 562' ' ' LEU . 79.9 m-20 -52.54 -46.46 66.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -43.31 61.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -61.78 -37.87 85.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.724 HD12 HD21 ' B' ' 562' ' ' LEU . 3.0 mt -66.04 -40.51 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.74 -16.82 59.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -107.07 -20.33 13.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 22.7 mtm -84.77 -41.97 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.873 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -63.02 -14.24 45.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.873 ' N ' HD13 ' B' ' 597' ' ' LEU . 10.0 pt-20 -68.15 -16.42 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.02 144.12 46.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -48.74 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.312 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -58.14 -23.88 56.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 26.7 t -84.51 -49.63 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.476 HD13 ' N ' ' B' ' 604' ' ' ARG . 2.3 tm? -51.87 -63.93 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.476 ' N ' HD13 ' B' ' 603' ' ' LEU . 5.6 ptm180 -54.25 -44.04 71.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 12.8 t -51.26 -51.38 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -61.16 -54.2 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.763 HG11 ' HG3' ' B' ' 573' ' ' MET . 99.2 t -51.18 -48.8 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -58.2 -52.83 63.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . 0.431 ' O ' HG23 ' B' ' 613' ' ' VAL . 29.1 mm-40 -53.37 -53.79 45.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.66 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.44 -60.57 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.609 HG21 ' CE1' ' B' ' 574' ' ' HIS . 58.5 t -50.11 -42.46 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.16 88.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.685 HG21 ' HG ' ' A' ' 69' ' ' LEU . 97.3 t -65.65 -39.18 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.608 HD13 ' HD3' ' B' ' 580' ' ' LYS . 15.8 mt -51.48 -29.52 16.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.885 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.661 ' HG ' HG21 ' B' ' 613' ' ' VAL . 4.1 pp -106.09 172.06 7.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -106.5 137.16 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.435 ' O ' HG22 ' A' ' 71' ' ' VAL . 7.2 p -78.11 -3.34 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -69.67 -19.88 63.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.452 ' HB1' ' CG ' ' B' ' 587' ' ' GLU . . . -57.9 121.06 9.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.08 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -52.13 159.92 1.36 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -89.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -172.06 -168.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.474 HG23 ' CD ' ' B' ' 559' ' ' LYS . 85.8 t -109.97 82.47 2.48 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.643 0.735 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.372 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.673 HD22 HD11 ' B' ' 594' ' ' LEU . 9.0 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.805 0.336 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -104.27 -39.11 6.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 76.9 p -108.95 27.88 9.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -125.94 160.23 57.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.541 0.686 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.77 168.06 22.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.66 24.18 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.749 2.3 . . . . 0.0 112.341 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -97.18 -40.51 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -66.1 -21.09 66.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -57.52 -64.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.537 ' CA ' HD11 ' B' ' 586' ' ' LEU . 15.9 ptpt -51.61 -34.18 36.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -62.21 -71.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 37.3 mtm -58.0 -56.02 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.685 HD21 HD12 ' B' ' 593' ' ' LEU . 9.3 tt -50.56 -60.39 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.67 -39.58 86.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -58.45 -47.73 83.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -74.74 -25.74 59.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -26.77 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.95 -57.95 10.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 110.933 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.77 -38.22 8.08 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.636 2.224 . . . . 0.0 112.362 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.614 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.8 OUTLIER -54.59 -38.37 66.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.55 HD13 HG22 ' B' ' 581' ' ' ILE . 67.6 mt -75.35 -33.69 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -58.93 -19.83 46.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.57 -28.12 30.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.527 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -124.55 -38.31 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.594 ' CD2' HG21 ' B' ' 611' ' ' VAL . 17.1 m80 -125.27 73.3 66.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 110.826 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -7.49 21.22 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.619 2.212 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 4.3 p -92.61 -58.01 2.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.462 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -92.19 15.1 14.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.9 -33.99 18.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.11 -72.02 0.74 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . 0.723 ' HD3' HD22 ' B' ' 614' ' ' LEU . 1.2 tttp -48.7 -41.63 32.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.712 0.292 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.55 HG22 HD13 ' B' ' 570' ' ' ILE . 49.2 mt -55.41 -59.4 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -31.24 65.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.37 -57.94 13.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.716 ' HE1' ' HB1' ' B' ' 610' ' ' ALA . 35.2 mtm -65.89 -42.5 90.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.432 HD22 HG22 ' B' ' 581' ' ' ILE . 8.2 mp -61.57 -30.35 70.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.639 ' HA ' HD11 ' B' ' 593' ' ' LEU . 7.7 tt -83.9 -19.18 35.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' B' ' 588' ' ' ILE . 0.9 OUTLIER -77.01 -55.2 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.463 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.05 -61.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.47 109.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.671 ' HB3' HD13 ' B' ' 562' ' ' LEU . 2.8 m120 -52.22 -45.54 65.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -36.86 63.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -67.6 -33.91 75.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.685 HD12 HD21 ' B' ' 562' ' ' LEU . 1.6 mt -73.19 -34.8 66.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.673 HD11 HD22 ' B' ' 550' ' ' LEU . 41.7 mt -64.33 -15.7 60.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -118.31 -15.29 9.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -89.44 -20.84 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.746 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -68.22 -7.99 35.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.552 ' N ' HD13 ' B' ' 597' ' ' LEU . 12.4 mt-10 -92.03 -14.37 29.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.81 121.05 55.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.699 0.761 . . . . 0.0 110.862 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -64.79 -22.44 66.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 72.5 m -82.75 -49.33 9.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.481 ' C ' HD13 ' B' ' 603' ' ' LEU . 2.8 tm? -50.71 -56.5 11.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -55.66 -37.81 68.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 31.1 t -64.66 -45.36 87.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -59.71 -57.57 12.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.527 HG11 ' HG3' ' B' ' 573' ' ' MET . 64.5 t -54.2 -50.64 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -55.71 -53.91 50.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -51.94 -52.93 46.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.716 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -51.66 -60.51 3.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.594 HG21 ' CD2' ' B' ' 574' ' ' HIS . 57.5 t -50.6 -36.86 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.42 93.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.661 HG21 ' HG ' ' A' ' 69' ' ' LEU . 84.0 t -64.21 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.723 HD22 ' HD3' ' B' ' 580' ' ' LYS . 8.3 mt -51.51 -30.43 20.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.944 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.784 0.326 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.713 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.6 pp -131.1 -175.43 3.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -108.56 137.27 46.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.616 ' HB ' HG12 ' B' ' 613' ' ' VAL . 10.3 p -86.94 -16.23 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.9 -17.13 63.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HB1' ' CD ' ' B' ' 587' ' ' GLU . . . -56.23 123.32 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -51.28 159.39 1.12 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -89.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.312 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.648 ' HB3' HD22 ' B' ' 586' ' ' LEU . 8.2 p90 -172.1 -169.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.97 82.46 2.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.955 HD12 HD11 ' B' ' 594' ' ' LEU . 4.2 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.766 0.317 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -89.39 -68.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 12.0 p -94.69 41.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -127.67 159.96 63.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.564 0.697 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.7 Cg_endo -69.78 168.38 21.75 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.665 2.244 . . . . 0.0 112.309 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . 0.421 ' HA ' ' HG3' ' B' ' 558' ' ' GLN . 53.9 Cg_endo -69.79 -7.41 21.01 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.668 2.246 . . . . 0.0 112.356 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -92.61 -52.78 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . 0.426 ' HB3' ' HE1' ' B' ' 561' ' ' MET . 1.6 tt0 -58.68 -24.36 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . 0.701 ' HA ' HD22 ' B' ' 550' ' ' LEU . 4.2 mt-30 -51.79 -62.52 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . 0.548 ' HB2' HD11 ' B' ' 586' ' ' LEU . 34.7 pttt -64.3 -25.11 67.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -68.3 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . 0.426 ' HE1' ' HB3' ' B' ' 557' ' ' GLU . 45.3 mtm -60.96 -44.97 96.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.823 HD13 ' HB2' ' B' ' 590' ' ' ASN . 9.7 tt -62.4 -57.23 12.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.53 -38.68 93.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.49 -39.47 91.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -76.84 -34.71 57.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.9 -25.7 56.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.527 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.04 -58.25 9.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.72 -42.52 3.37 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.609 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.8 OUTLIER -51.14 -36.5 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . 0.769 HD12 ' HB ' ' B' ' 582' ' ' THR . 96.5 mt -75.43 -34.35 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -57.39 -21.52 36.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -52.7 -31.22 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.742 ' HE3' HG21 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -118.55 -38.55 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.716 ' CE1' HG11 ' B' ' 611' ' ' VAL . 21.8 m-70 -127.07 74.59 76.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.704 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -7.79 21.95 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.01 -42.39 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.455 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -100.37 15.03 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.38 -53.52 52.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.39 -50.74 34.28 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . 0.519 ' HB2' HD11 ' B' ' 614' ' ' LEU . 30.6 mmmt -63.38 -49.04 75.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.606 HD11 HG22 ' B' ' 611' ' ' VAL . 20.3 mt -55.4 -60.6 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . 0.769 ' HB ' HD12 ' B' ' 570' ' ' ILE . 7.8 t -56.21 -33.6 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.45 -60.24 8.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.673 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 34.8 mtm -64.79 -44.91 88.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.545 ' O ' HD11 ' B' ' 593' ' ' LEU . 9.8 mp -58.82 -30.25 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 76' ' ' PHE . 2.9 tt -82.8 -19.15 38.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tt0 -76.07 -56.34 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.98 -60.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.84 103.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.823 ' HB2' HD13 ' B' ' 562' ' ' LEU . 2.6 p-10 -51.03 -42.87 60.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.91 -39.47 68.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.27 -33.75 76.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.772 HD12 HD21 ' B' ' 562' ' ' LEU . 2.4 mt -72.33 -34.67 68.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.955 HD11 HD12 ' B' ' 550' ' ' LEU . 54.6 mt -61.22 -17.5 53.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -118.73 -15.2 9.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.12 -19.78 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.736 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -68.87 -7.8 37.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.517 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.1 mt-10 -85.95 -15.55 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 37.7 t -100.17 121.22 54.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.83 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.722 2.282 . . . . 0.0 112.319 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.45 -19.6 65.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 20.0 m -86.27 -49.29 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.483 HD13 ' N ' ' B' ' 604' ' ' ARG . 2.1 tm? -51.23 -62.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . 0.483 ' N ' HD13 ' B' ' 603' ' ' LEU . 15.8 mmm180 -57.53 -36.09 71.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.4 t -62.03 -48.23 81.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -62.2 -53.78 50.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.742 HG21 ' HE3' ' B' ' 573' ' ' MET . 93.3 t -51.09 -51.83 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -57.28 -51.1 70.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . 0.453 ' O ' HG23 ' B' ' 613' ' ' VAL . 57.5 mm-40 -55.73 -51.63 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.673 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -52.45 -59.83 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.716 HG11 ' CE1' ' B' ' 574' ' ' HIS . 39.6 t -50.6 -42.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.85 95.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.713 HG21 ' HG ' ' A' ' 69' ' ' LEU . 95.3 t -63.91 -38.19 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' B' ' 580' ' ' LYS . 29.7 mt -50.27 -32.08 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.664 ' HG ' HG21 ' B' ' 613' ' ' VAL . 2.6 pp -121.94 168.2 12.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -89.73 137.45 32.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.8 p -93.79 -13.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -70.07 -11.01 60.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.8 119.33 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 155.86 2.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.647 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.9 Cg_endo -69.79 -89.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -172.12 -169.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.1 t -109.88 82.54 2.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.631 0.729 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.227 . . . . 0.0 112.371 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.616 ' HB2' HD11 ' B' ' 594' ' ' LEU . 8.4 mp . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.837 0.351 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -101.2 -50.19 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.081 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 6.2 p -105.59 30.36 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.583 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -120.99 160.6 44.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 111.082 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.583 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.7 Cg_endo -69.76 167.7 23.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.367 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.85 24.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -94.26 -51.49 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -57.47 -23.67 51.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . 0.428 ' HB3' HD23 ' B' ' 550' ' ' LEU . 4.3 mt-30 -52.03 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -34.9 70.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -62.95 -67.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 49.6 mtm -57.71 -59.02 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.625 HD22 ' OD1' ' B' ' 590' ' ' ASN . 10.6 tt -51.62 -59.99 3.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.33 -45.6 65.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.23 -44.43 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -73.26 -27.9 61.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 2.6 mp -75.9 -27.02 57.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.2 -58.06 9.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.855 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.73 -38.8 7.37 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.373 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.619 ' O ' HD13 ' B' ' 569' ' ' LEU . 1.2 tm? -52.96 -39.9 63.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 17.1 mt -75.28 -32.44 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.89 -19.34 50.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.55 68.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.709 ' HE3' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -120.73 -24.68 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.713 ' CE1' HG21 ' B' ' 611' ' ' VAL . 5.9 m-70 -142.29 73.57 21.26 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.702 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.16 20.36 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.661 2.24 . . . . 0.0 112.321 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 3.2 p -93.27 -60.53 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.456 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.11 13.87 13.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.39 -32.59 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.67 -73.98 0.49 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . 0.628 ' HD3' HD22 ' B' ' 614' ' ' LEU . 34.7 mttp -48.02 -41.32 25.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.631 HD11 HG22 ' B' ' 611' ' ' VAL . 53.7 mt -55.61 -60.17 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -31.59 63.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.87 -59.95 8.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.682 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 33.0 mtm -64.57 -43.34 94.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.595 HD22 HG22 ' B' ' 581' ' ' ILE . 7.4 mp -60.37 -29.99 69.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 75' ' ' PRO . 2.7 tt -83.68 -18.99 36.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tm-20 -76.87 -55.21 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.464 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.01 -60.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.19 105.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.625 ' OD1' HD22 ' B' ' 562' ' ' LEU . 61.5 m-20 -51.69 -45.09 63.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.55 -38.34 63.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -67.17 -33.83 76.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.55 HD11 ' HA ' ' B' ' 586' ' ' LEU . 2.1 mt -72.22 -34.84 68.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' B' ' 550' ' ' LEU . 10.1 mt -61.66 -17.42 55.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -118.5 -15.04 9.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -89.36 -18.32 27.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.733 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.84 -7.03 36.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.545 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.7 mt-10 -90.28 -15.04 32.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 36.8 t -98.16 121.9 55.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -41.3 4.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.86 -18.54 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.4 t -85.13 -51.35 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.709 HD11 ' HE3' ' B' ' 573' ' ' MET . 6.6 tp -51.44 -63.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -54.94 -37.96 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 14.2 t -60.62 -51.94 67.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -57.4 -55.21 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.691 HG11 ' HG3' ' B' ' 573' ' ' MET . 92.0 t -51.83 -44.78 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -59.34 -56.9 16.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . 0.404 ' O ' HG23 ' B' ' 613' ' ' VAL . 54.1 mm-40 -52.6 -51.25 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.682 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.42 -60.17 3.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.713 HG21 ' CE1' ' B' ' 574' ' ' HIS . 86.6 t -50.52 -42.23 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.31 89.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.664 HG21 ' HG ' ' A' ' 69' ' ' LEU . 92.2 t -65.43 -40.58 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.628 HD22 ' HD3' ' B' ' 580' ' ' LYS . 11.5 mt -51.65 -29.45 17.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.846 0.355 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.621 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -126.85 -175.76 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 73' ' ' ALA . 14.8 p-10 -109.24 138.78 45.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.552 ' HB ' HG12 ' B' ' 613' ' ' VAL . 9.0 p -85.05 -17.38 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -69.89 -18.81 63.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.427 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . . . -51.43 124.17 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.047 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -51.61 160.72 0.97 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.433 ' HA ' ' HA3' ' B' ' 583' ' ' GLY . 53.4 Cg_endo -69.82 -89.27 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.636 2.224 . . . . 0.0 112.318 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.582 ' HB3' HD22 ' B' ' 586' ' ' LEU . 9.3 p90 -171.98 -168.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.7 t -109.55 83.62 2.71 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.561 0.696 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.15 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 550' ' ' LEU . . . . . 0.95 HD12 HD11 ' B' ' 594' ' ' LEU . 4.7 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -51.5 -51.47 54.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.0 t -93.71 41.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -146.18 160.74 41.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 554' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.4 Cg_endo -69.8 168.69 20.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 555' ' ' PRO . . . . . 0.414 ' HA ' ' HG3' ' B' ' 558' ' ' GLN . 53.9 Cg_endo -69.75 -7.55 21.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.278 . . . . 0.0 112.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.09 -47.7 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 557' ' ' GLU . . . . . 0.405 ' HB3' ' HE1' ' B' ' 561' ' ' MET . 0.3 OUTLIER -62.04 -23.77 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 558' ' ' GLN . . . . . 0.463 ' HA ' HD22 ' B' ' 550' ' ' LEU . 4.2 mt-30 -53.18 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -50.92 -32.54 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -64.44 -71.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . 0.405 ' HE1' ' HB3' ' B' ' 557' ' ' GLU . 46.4 mtm -54.19 -55.68 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.752 HD13 ' HB3' ' B' ' 590' ' ' ASN . 8.1 tt -51.16 -60.17 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.47 67.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -57.01 -47.68 80.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -71.13 -26.79 63.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.3 mp -75.73 -27.28 58.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.17 -58.25 9.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.672 0.748 . . . . 0.0 110.833 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.68 -38.02 8.54 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 569' ' ' LEU . . . . . 0.562 ' O ' HD13 ' B' ' 569' ' ' LEU . 1.0 OUTLIER -51.91 -42.68 62.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 8.7 mt -75.52 -33.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.84 -20.14 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -55.06 -25.82 33.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 573' ' ' MET . . . . . 0.455 ' HE3' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -126.78 -41.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 574' ' ' HIS . . . . . 0.667 ' CE1' HG11 ' B' ' 611' ' ' VAL . 22.4 m-70 -122.29 74.61 41.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -7.25 20.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.361 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 576' ' ' THR . . . . . 0.4 ' OG1' HD22 ' B' ' 577' ' ' LEU . 3.2 p -95.22 -53.71 3.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 577' ' ' LEU . . . . . 0.471 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.7 mm? -90.39 12.22 19.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.3 -33.32 28.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.8 -59.02 8.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 580' ' ' LYS . . . . . 0.51 ' HD3' HD22 ' B' ' 614' ' ' LEU . 40.1 mttm -62.29 -40.04 94.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 581' ' ' ILE . . . . . 0.66 HD11 HG22 ' B' ' 611' ' ' VAL . 61.4 mt -58.38 -62.05 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 6.5 t -56.95 -34.02 67.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 583' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 75' ' ' PRO . . . -60.02 -59.83 9.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 584' ' ' MET . . . . . 0.66 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 37.9 mtm -65.16 -45.82 83.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 585' ' ' LEU . . . . . 0.524 ' O ' HD11 ' B' ' 593' ' ' LEU . 9.8 mp -57.85 -29.25 64.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 586' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 76' ' ' PHE . 1.6 tt -83.56 -19.61 35.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 587' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.5 tp10 -77.3 -55.15 5.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 588' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.7 OUTLIER -33.26 -61.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.79 106.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 590' ' ' ASN . . . . . 0.752 ' HB3' HD13 ' B' ' 562' ' ' LEU . 84.4 m-20 -52.46 -40.72 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 2.2 t -55.34 -39.18 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -67.94 -33.81 75.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 593' ' ' LEU . . . . . 0.676 HD12 HD21 ' B' ' 562' ' ' LEU . 2.3 mt -71.7 -35.99 70.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 594' ' ' LEU . . . . . 0.95 HD11 HD12 ' B' ' 550' ' ' LEU . 55.5 mt -62.83 -16.45 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -118.74 -12.08 9.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -88.21 -23.4 23.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 597' ' ' LEU . . . . . 0.736 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.55 -6.5 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 598' ' ' GLU . . . . . 0.511 ' N ' HD13 ' B' ' 597' ' ' LEU . 13.3 mt-10 -89.03 9.02 26.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 48.4 t -134.05 128.38 19.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -48.3 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.19 -18.74 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 23.2 m -84.76 -54.16 4.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 603' ' ' LEU . . . . . 0.455 HD11 ' HE3' ' B' ' 573' ' ' MET . 7.1 tp -52.21 -58.51 6.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -57.33 -41.34 79.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.4 t -54.87 -53.21 58.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.4 -54.3 48.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 607' ' ' VAL . . . . . 0.603 ' O ' HG23 ' B' ' 611' ' ' VAL . 93.9 t -51.13 -52.02 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.75 -51.23 69.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -55.38 -52.16 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 610' ' ' ALA . . . . . 0.66 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.73 -60.17 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 611' ' ' VAL . . . . . 0.667 HG11 ' CE1' ' B' ' 574' ' ' HIS . 40.4 t -50.24 -43.3 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.56 88.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 613' ' ' VAL . . . . . 0.621 HG21 ' HG ' ' A' ' 69' ' ' LEU . 70.2 t -63.33 -40.87 90.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 614' ' ' LEU . . . . . 0.51 HD22 ' HD3' ' B' ' 580' ' ' LYS . 12.6 mt -51.04 -36.13 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.908 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.609 ' HB2' HD23 ' A' ' 69' ' ' LEU . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.78 0.324 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.564 ' CE2' HG22 ' B' ' 588' ' ' ILE . 0.2 OUTLIER -126.8 -65.0 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.2 m -117.61 -35.91 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -164.58 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.64 ' HG3' HG22 ' B' ' 613' ' ' VAL . 22.8 tt0 -109.11 161.87 14.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.675 HD12 HG11 ' B' ' 613' ' ' VAL . 2.7 pp -119.73 -176.74 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -92.14 137.41 32.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.579 ' HB ' HG12 ' B' ' 613' ' ' VAL . 7.4 p -92.19 -20.08 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.76 -16.9 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.47 116.38 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -51.41 160.3 0.99 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.562 0.696 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -89.06 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -172.24 -169.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.4 m -110.05 82.2 2.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 177.97 4.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -109.19 41.1 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 52.9 t -108.09 115.69 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -111.57 -67.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.8 143.2 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.776 0.322 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 51.92 68.21 3.4 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.636 0.732 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . 0.407 ' O ' HG23 ' B' ' 546' ' ' THR . 54.1 Cg_endo -69.72 169.84 17.93 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' B' ' 565' ' ' ARG . 19.1 tp -54.63 144.94 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . 0.407 HG23 ' O ' ' B' ' 544' ' ' PRO . 30.1 p -142.42 142.52 32.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -59.13 -22.06 60.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 48.8 m -62.56 -44.92 95.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . 0.404 ' HE2' HD12 ' B' ' 545' ' ' LEU . 6.8 mtm -52.06 -38.57 57.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 8.9 mp -86.47 -27.21 24.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.74 99.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 23.3 t -95.97 33.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -140.41 160.45 59.49 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.0 Cg_endo -69.71 168.63 20.93 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . 0.417 ' HA ' ' HG3' ' B' ' 558' ' ' GLN . 53.4 Cg_endo -69.88 -7.75 21.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -93.39 -50.69 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.68 -23.54 64.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.417 ' HG3' ' HA ' ' B' ' 555' ' ' PRO . 3.7 mt-30 -52.82 -74.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.683 ' HB2' HD11 ' B' ' 586' ' ' LEU . 24.7 pttt -51.64 -32.32 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -61.53 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.2 mtm -61.88 -54.94 35.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.778 HD13 ' HB3' ' B' ' 590' ' ' ASN . 9.2 tt -52.0 -60.13 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.41 -38.32 78.94 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -62.83 -42.05 99.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.375 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.429 ' HD2' HD13 ' B' ' 545' ' ' LEU . 22.8 ttt-85 -75.96 -31.72 59.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.96 -26.05 56.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.533 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.53 -57.8 10.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.2 Cg_endo -69.84 -40.8 4.78 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.574 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -53.13 -35.5 59.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.599 HD13 HG22 ' B' ' 581' ' ' ILE . 91.4 mt -75.36 -33.9 28.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -56.46 -21.81 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.11 -32.45 22.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.797 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -120.37 -33.4 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.898 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.795 ' CE1' HG21 ' B' ' 611' ' ' VAL . 10.1 m80 -130.77 75.55 78.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.805 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -7.57 21.39 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.732 2.288 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.7 p -98.46 -55.37 2.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.666 HD11 ' O ' ' B' ' 619' ' ' ALA . 2.8 mm? -88.47 8.88 25.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.08 -35.63 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.54 -70.08 1.14 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . 0.668 ' HE2' HD22 ' B' ' 614' ' ' LEU . 7.6 mtpt -51.03 -41.48 59.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.599 HG22 HD13 ' B' ' 570' ' ' ILE . 48.3 mt -54.91 -60.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.459 ' HB ' HD12 ' B' ' 570' ' ' ILE . 0.6 OUTLIER -58.62 -29.92 66.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.81 -59.23 9.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.705 ' HE1' ' HB1' ' B' ' 610' ' ' ALA . 35.1 mtm -62.53 -44.0 97.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.528 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.4 mp -61.72 -29.93 70.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' B' ' 559' ' ' LYS . 4.9 tt -81.44 -20.09 41.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.5 tp10 -77.48 -57.21 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.564 HG22 ' CE2' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -33.85 -62.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.25 112.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.778 ' HB3' HD13 ' B' ' 562' ' ' LEU . 45.1 m-20 -52.15 -45.65 65.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.91 -45.44 60.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.11 -38.8 84.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.682 HD12 HD21 ' B' ' 562' ' ' LEU . 3.0 mt -65.06 -38.03 89.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.12 -16.48 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -110.88 -16.47 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . 0.44 ' HE3' ' HG3' ' B' ' 606' ' ' LYS . 23.2 mtm -90.84 -35.26 14.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.824 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -63.78 -13.22 42.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.824 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.6 pt-20 -94.85 31.76 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.85 136.95 6.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -48.96 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.656 2.237 . . . . 0.0 112.386 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.13 -20.13 56.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 18.0 t -91.35 -55.82 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.469 ' C ' HD13 ' B' ' 603' ' ' LEU . 3.1 tm? -51.84 -61.86 1.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -54.91 -35.32 64.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.3 t -63.2 -50.53 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.451 ' HB3' HD21 ' B' ' 585' ' ' LEU . 30.7 mmmt -59.69 -57.18 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.797 HG11 ' HG3' ' B' ' 573' ' ' MET . 95.6 t -50.76 -51.42 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -56.97 -52.31 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . 0.469 ' O ' HG23 ' B' ' 613' ' ' VAL . 0.3 OUTLIER -53.88 -54.51 37.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.705 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -50.38 -59.82 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.795 HG21 ' CE1' ' B' ' 574' ' ' HIS . 58.8 t -49.52 -42.42 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.41 79.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.675 HG11 HD12 ' A' ' 69' ' ' LEU . 93.6 t -67.68 -42.0 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.668 HD22 ' HE2' ' B' ' 580' ' ' LYS . 10.4 mt -63.07 -19.85 64.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -51.54 -30.01 18.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -75.89 -41.34 52.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -77.17 -68.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -173.93 146.7 1.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . 0.666 ' O ' HD11 ' B' ' 577' ' ' LEU . . . -88.02 -68.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -127.93 28.69 5.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 56.86 40.01 29.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -121.52 25.32 9.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.769 0.319 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -125.3 -39.02 2.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.27 -169.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -84.01 2.35 39.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -120.46 112.52 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.805 ' HG ' HG21 ' B' ' 613' ' ' VAL . 1.0 OUTLIER -119.29 -175.99 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -99.08 135.71 40.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.507 ' HB ' HG12 ' B' ' 613' ' ' VAL . 14.9 p -85.25 -22.76 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -70.2 -11.03 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.78 124.03 16.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -51.5 157.47 1.76 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -89.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.302 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.59 ' HB3' HD22 ' B' ' 586' ' ' LEU . 13.2 p90 -172.03 -169.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.84 83.46 2.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.628 0.728 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 178.66 4.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -118.54 39.13 3.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.5 141.82 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -97.62 39.18 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -176.56 158.72 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -150.3 68.88 8.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 172.13 13.17 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 63.0 tp -72.64 151.21 42.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 6.8 t -144.97 156.17 43.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -55.19 -27.45 45.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 14.5 m -53.15 -47.12 69.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 4.0 mmt -53.45 -41.51 66.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 7.4 mp -95.65 26.46 3.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.44 -54.86 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 5.7 t -98.27 25.28 6.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -117.18 160.46 37.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.566 0.698 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.4 Cg_endo -69.78 167.84 23.32 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -11.28 30.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -93.28 -46.64 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . 0.421 ' O ' ' HE2' ' B' ' 561' ' ' MET . 41.7 mt-10 -59.28 -25.06 63.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -54.8 -71.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -51.8 -32.72 32.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -62.82 -67.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . 0.421 ' HE2' ' O ' ' B' ' 557' ' ' GLU . 40.8 mtm -60.92 -55.74 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.767 HD13 ' HB3' ' B' ' 590' ' ' ASN . 9.1 tt -51.74 -58.39 6.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.44 -54.31 38.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.513 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.48 -42.5 61.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 39.0 mtt85 -74.12 -27.85 61.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -25.36 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.517 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.19 -58.71 8.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.644 0.735 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -39.96 5.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.351 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.524 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -52.46 -40.14 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.625 HD12 ' HB ' ' B' ' 582' ' ' THR . 56.7 mt -75.72 -32.68 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . 0.409 ' HG2' ' HA ' ' B' ' 575' ' ' PRO . 32.7 mt-30 -58.47 -19.7 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.34 43.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.734 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -124.66 -38.53 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.671 ' CE1' HG11 ' B' ' 611' ' ' VAL . 22.8 m-70 -124.72 75.06 64.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . 0.409 ' HA ' ' HG2' ' B' ' 571' ' ' GLN . 53.6 Cg_endo -69.81 -6.44 18.62 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.736 2.291 . . . . 0.0 112.354 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.0 p -96.7 -54.25 3.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.81 14.44 13.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.66 -39.08 57.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.56 -52.89 35.33 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -62.78 -40.56 97.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.507 HG22 HD22 ' B' ' 585' ' ' LEU . 27.0 mt -61.05 -60.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.625 ' HB ' HD12 ' B' ' 570' ' ' ILE . 8.2 t -57.06 -33.46 67.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.84 -59.32 9.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.707 ' CE ' HD21 ' B' ' 614' ' ' LEU . 39.9 mtm -62.71 -44.47 96.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.552 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.2 mp -60.8 -30.94 70.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 76' ' ' PHE . 7.4 tt -80.24 -19.59 46.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 11.0 tm-20 -77.37 -58.44 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.37 -62.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.77 113.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.767 ' HB3' HD13 ' B' ' 562' ' ' LEU . 54.6 m-20 -53.26 -47.02 69.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -43.48 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -61.33 -38.78 88.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.674 HD12 HD21 ' B' ' 562' ' ' LEU . 3.3 mt -65.17 -40.6 94.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.31 -15.41 60.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -106.45 -20.12 13.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 33.3 mtm -88.02 -40.67 13.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.874 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -63.27 -14.34 48.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.874 ' N ' HD13 ' B' ' 597' ' ' LEU . 1.3 pp20? -71.7 -15.01 62.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.48 147.97 68.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.71 0.767 . . . . 0.0 110.868 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -47.43 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.404 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.97 -23.7 47.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 2.4 m -87.24 -51.92 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.798 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.474 ' C ' HD13 ' B' ' 603' ' ' LEU . 2.2 tm? -54.3 -62.75 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.474 ' N ' HD13 ' B' ' 603' ' ' LEU . 41.5 ttp180 -52.97 -44.63 67.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 1.4 t -52.19 -51.26 59.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -59.85 -56.08 26.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.734 HG11 ' HG3' ' B' ' 573' ' ' MET . 95.5 t -50.79 -53.13 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.63 -52.42 64.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -54.25 -53.32 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.69 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -51.12 -60.07 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.671 HG11 ' CE1' ' B' ' 574' ' ' HIS . 39.8 t -49.92 -42.12 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.69 92.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.805 HG21 ' HG ' ' A' ' 69' ' ' LEU . 53.0 t -64.74 -42.26 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.079 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.707 HD21 ' CE ' ' B' ' 584' ' ' MET . 8.3 mt -53.81 -32.88 54.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -54.84 -27.5 42.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -64.95 -42.6 94.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . 0.42 ' HB2' HG11 ' A' ' 71' ' ' VAL . 11.6 t-160 -93.98 -68.47 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -146.57 137.22 23.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -108.94 53.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.062 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 14.0 tptp 56.3 35.61 26.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.47 -30.07 51.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -90.99 72.04 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.332 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -140.69 159.53 42.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -96.76 -33.08 11.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -56.11 177.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -51.65 156.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.645 ' CD1' HG21 ' B' ' 613' ' ' VAL . 3.1 pp -125.41 -176.51 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -101.35 136.56 40.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.528 HG23 ' CD2' ' B' ' 614' ' ' LEU . 7.2 p -86.92 -19.19 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -70.05 -17.85 63.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.441 ' HB1' ' CD ' ' B' ' 587' ' ' GLU . . . -51.43 123.41 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -52.14 160.49 1.2 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -88.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.57 ' HB3' HD22 ' B' ' 586' ' ' LEU . 9.2 p90 -171.84 -169.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.9 t -109.98 82.58 2.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.666 0.746 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 177.96 5.05 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -124.37 36.25 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.53 137.91 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -72.67 -26.7 61.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -174.28 165.69 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 62.98 73.64 0.5 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 163.53 37.88 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.27 . . . . 0.0 112.371 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.501 HD21 ' HA ' ' B' ' 562' ' ' LEU . 12.5 tp -94.65 153.34 17.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 2.5 m -161.01 160.44 30.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . 0.622 ' HA ' HD13 ' B' ' 594' ' ' LEU . . . -51.73 -35.66 44.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 13.4 p -53.96 -28.11 35.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 68.6 mmm -66.07 -44.55 84.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' B' ' 558' ' ' GLN . 3.9 mt -97.53 33.13 2.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -95.1 -58.89 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.68 23.4 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -112.48 159.8 32.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 111.104 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.3 Cg_endo -69.79 167.4 24.59 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -9.08 25.23 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -95.92 -45.87 6.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . 0.411 ' HB3' ' HE2' ' B' ' 561' ' ' MET . 19.0 mm-40 -59.87 -26.79 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.58 ' HA ' HD22 ' B' ' 550' ' ' LEU . 6.2 mt-30 -52.02 -68.65 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -56.56 -32.37 65.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -62.48 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . 0.411 ' HE2' ' HB3' ' B' ' 557' ' ' GLU . 38.5 mtm -61.71 -58.46 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.717 HD21 HD12 ' B' ' 593' ' ' LEU . 8.8 tt -50.93 -55.41 17.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.93 -54.78 35.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -52.19 -42.13 63.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -28.01 61.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.78 -25.95 56.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.71 -58.22 9.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.77 -41.05 4.6 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.493 HD13 ' C ' ' B' ' 569' ' ' LEU . 3.3 tm? -51.76 -38.39 55.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.59 HD13 HG22 ' B' ' 581' ' ' ILE . 75.3 mt -75.08 -35.67 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -59.32 -19.36 45.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.45 -26.58 20.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.605 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -126.73 -38.02 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.547 ' O ' ' HB2' ' B' ' 578' ' ' ALA . 13.9 m-70 -126.03 72.57 70.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.636 0.731 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.43 21.02 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.662 2.241 . . . . 0.0 112.385 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 9.0 p -89.65 -61.84 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.587 HD21 ' HB2' ' B' ' 620' ' ' LYS . 2.7 mm? -89.25 11.38 19.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -48.25 -31.81 6.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.88 -76.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . 0.649 ' HD3' HD22 ' B' ' 614' ' ' LEU . 41.4 mttm -48.26 -38.47 18.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.714 0.292 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.59 HG22 HD13 ' B' ' 570' ' ' ILE . 59.5 mt -56.21 -59.94 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.6 -31.24 67.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.79 -60.04 8.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.627 ' HE1' ' HB1' ' B' ' 610' ' ' ALA . 35.8 mtm -62.73 -43.09 99.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.531 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.0 mp -61.44 -30.38 70.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.593 ' HA ' HD11 ' B' ' 593' ' ' LEU . 6.9 tt -81.32 -19.95 41.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' B' ' 588' ' ' ILE . 8.0 tt0 -77.46 -57.38 3.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -33.68 -62.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.13 113.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.663 ' HB3' HD13 ' B' ' 562' ' ' LEU . 79.9 m-20 -52.98 -43.67 66.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 2.7 t -51.23 -45.89 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -60.65 -39.11 87.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.717 HD12 HD21 ' B' ' 562' ' ' LEU . 3.0 mt -64.78 -37.81 88.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.622 HD13 ' HA ' ' B' ' 547' ' ' ALA . 18.1 mt -63.92 -16.46 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -109.02 -17.28 13.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 26.8 mtm -90.92 -35.97 14.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.835 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -64.68 -12.64 48.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.835 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.9 pt-20 -94.51 31.37 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.97 142.66 2.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.845 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -48.82 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.32 -20.47 54.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.7 m -89.0 -55.63 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.513 HD21 ' HE1' ' B' ' 573' ' ' MET . 15.6 tp -58.59 -56.61 19.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -55.69 -34.73 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 6.2 t -64.7 -51.46 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.433 ' HB3' HD21 ' B' ' 585' ' ' LEU . 30.6 mmmt -60.82 -57.23 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.629 ' O ' HG23 ' B' ' 611' ' ' VAL . 95.5 t -50.85 -50.53 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.49 -53.49 57.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . 0.473 ' OE2' HD23 ' A' ' 69' ' ' LEU . 24.9 tt0 -54.53 -54.3 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.627 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -50.24 -60.18 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 607' ' ' VAL . 58.7 t -49.79 -42.79 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.66 88.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.645 HG21 ' CD1' ' A' ' 69' ' ' LEU . 98.8 t -64.38 -42.37 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.649 HD22 ' HD3' ' B' ' 580' ' ' LYS . 19.8 mt -61.43 -19.93 62.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . 0.458 ' HA ' ' HB2' ' B' ' 619' ' ' ALA . 32.2 tt0 -56.17 -25.04 45.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -91.87 -17.98 24.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -88.43 -69.99 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -127.08 -37.78 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' B' ' 615' ' ' GLN . . . 64.65 45.82 3.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . 0.587 ' HB2' HD21 ' B' ' 577' ' ' LEU . 10.9 ttmt 53.32 41.62 32.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -103.72 66.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -173.72 138.5 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.059 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.513 ' N ' ' HZ3' ' B' ' 606' ' ' LYS . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.836 0.351 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -51.09 132.98 28.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.2 p -77.65 68.79 3.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -175.03 179.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -51.66 147.12 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.688 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.1 pp -116.92 179.62 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -96.42 135.55 38.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.416 ' HB ' HG12 ' B' ' 613' ' ' VAL . 7.6 p -88.75 -20.76 7.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -71.07 -15.0 62.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.05 120.87 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -51.51 160.21 1.05 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -88.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.299 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.495 ' HB3' HD13 ' B' ' 586' ' ' LEU . 12.2 p90 -171.85 -168.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.535 HG23 ' CE ' ' B' ' 559' ' ' LYS . 87.1 t -109.9 82.66 2.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 111.072 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.87 -179.05 2.69 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.632 2.222 . . . . 0.0 112.321 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -102.41 26.75 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.4 t -119.92 97.46 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -78.98 63.65 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -125.64 133.33 52.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -168.63 68.66 0.74 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.66 0.743 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 157.43 60.43 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.295 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.615 HD12 ' H ' ' B' ' 546' ' ' THR . 13.2 tp -62.94 144.1 57.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . 0.615 ' H ' HD12 ' B' ' 545' ' ' LEU . 1.8 m -161.22 162.52 31.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -59.51 -18.87 43.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 69.8 m -51.77 -46.78 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . 0.835 ' HG3' HD12 ' B' ' 550' ' ' LEU . 5.9 ptp -65.34 -30.04 70.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.835 HD12 ' HG3' ' B' ' 549' ' ' MET . 2.9 mp -93.04 17.88 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -97.15 -50.74 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.09 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 13.6 m -100.97 37.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -128.71 160.44 62.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.575 0.702 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.2 Cg_endo -69.69 167.73 23.51 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -96.61 -42.64 7.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.71 -21.4 66.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -56.86 -72.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.535 ' CE ' HG23 ' A' ' 77' ' ' VAL . 14.0 ptmt -54.49 -30.57 53.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -64.52 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 68.1 mtm -56.77 -57.12 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.755 HD21 HD12 ' B' ' 593' ' ' LEU . 9.2 tt -50.74 -60.32 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.38 -40.07 75.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -55.98 -52.65 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -71.72 -23.75 61.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.31 -27.79 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.504 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.07 -58.96 7.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.899 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.5 Cg_endo -69.8 -36.1 11.32 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.537 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.9 OUTLIER -52.72 -43.99 66.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 10.8 mt -75.41 -31.99 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.127 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -59.26 -19.35 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.31 -23.59 49.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.54 ' CE ' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -128.56 -41.45 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.693 ' CE1' HG21 ' B' ' 611' ' ' VAL . 43.5 m-70 -122.86 74.12 46.35 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.632 0.729 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -7.28 20.66 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.468 ' OG1' HD22 ' B' ' 577' ' ' LEU . 10.0 p -92.62 -55.89 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.468 HD22 ' OG1' ' B' ' 576' ' ' THR . 2.7 mm? -92.07 16.78 10.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.94 -37.13 51.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.83 -54.98 22.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . 0.611 ' HD3' HD22 ' B' ' 614' ' ' LEU . 25.2 mttp -63.05 -39.54 95.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.441 HG22 HD22 ' B' ' 585' ' ' LEU . 50.2 mt -60.46 -60.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 10.6 t -56.62 -34.41 67.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.77 -59.24 10.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.543 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.632 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 44.6 mtm -62.57 -44.47 96.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.533 ' O ' HD11 ' B' ' 593' ' ' LEU . 7.1 mp -62.58 -25.82 68.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.55 ' HA ' HD11 ' B' ' 593' ' ' LEU . 5.5 tt -81.78 -23.15 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tt0 -77.49 -55.45 5.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.449 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -33.92 -61.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.44 109.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.676 ' HB3' HD13 ' B' ' 562' ' ' LEU . 81.2 m-20 -52.94 -46.62 68.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.94 -42.77 60.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -62.06 -40.25 95.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.755 HD12 HD21 ' B' ' 562' ' ' LEU . 1.9 mt -63.95 -39.15 93.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.68 -11.45 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -116.57 -12.05 11.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 33.5 mtm -90.13 -26.91 19.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.729 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -70.63 -5.96 33.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.551 ' N ' HD13 ' B' ' 597' ' ' LEU . 4.8 mt-10 -88.01 -2.1 58.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.79 138.9 29.17 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -60.02 -19.87 54.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 70.1 m -86.46 -56.07 3.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.54 HD11 ' CE ' ' B' ' 573' ' ' MET . 9.5 tp -54.83 -56.68 16.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -56.4 -42.0 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 4.2 t -56.23 -53.14 60.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.513 ' HZ3' ' N ' ' A' ' 64' ' ' ALA . 31.1 mmmt -56.15 -55.5 32.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.55 ' O ' HG23 ' B' ' 611' ' ' VAL . 85.0 t -54.48 -50.67 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.178 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.64 -56.43 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -52.15 -53.34 44.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.632 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -50.62 -60.32 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.693 HG21 ' CE1' ' B' ' 574' ' ' HIS . 73.1 t -49.59 -41.67 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.65 93.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.688 HG21 ' HG ' ' A' ' 69' ' ' LEU . 95.3 t -63.45 -44.58 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.611 HD22 ' HD3' ' B' ' 580' ' ' LYS . 21.9 mt -54.4 -44.56 72.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -53.48 -33.39 54.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -56.33 -24.83 46.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -112.77 -62.57 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -138.19 130.68 29.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -60.81 -74.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -128.74 37.98 4.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -119.63 75.51 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.56 87.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.808 0.337 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -62.4 150.09 40.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.0 m -116.52 -23.09 8.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.09 -168.4 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -50.91 143.12 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.691 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.7 pp -113.11 -175.54 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -105.68 131.33 53.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 71' ' ' VAL . 7.3 p -81.28 -4.53 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.94 -25.1 63.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.428 ' HB1' ' HG3' ' B' ' 587' ' ' GLU . . . -51.71 122.67 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -51.46 160.54 0.96 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -89.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.426 ' HB3' HD22 ' B' ' 586' ' ' LEU . 8.0 p90 -172.01 -168.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.8 t -109.71 83.05 2.52 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -170.92 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.331 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -122.14 29.41 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.5 t -123.06 122.98 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -63.63 -53.25 54.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.078 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -178.59 158.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -171.35 68.39 0.47 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.706 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 157.61 59.79 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.624 2.216 . . . . 0.0 112.36 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.452 HD13 ' HD3' ' B' ' 565' ' ' ARG . 57.6 tp -96.79 145.26 26.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 10.4 t -152.94 168.0 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -58.94 -26.62 64.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 3.4 m -52.08 -51.07 60.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 10.8 mmm -53.11 -40.84 64.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 8.7 mp -96.49 27.61 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -108.03 -29.72 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 1.1 m -114.9 24.55 11.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -124.73 159.99 55.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.1 Cg_endo -69.66 167.29 24.72 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.752 2.301 . . . . 0.0 112.343 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -8.89 24.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -96.57 -41.07 8.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . 0.416 ' HG2' ' HE1' ' B' ' 561' ' ' MET . 0.5 OUTLIER -68.33 -18.85 64.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -58.33 -66.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.41 ' O ' HD11 ' B' ' 586' ' ' LEU . 1.9 ptpm? -51.57 -33.14 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -68.91 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . 0.416 ' HE1' ' HG2' ' B' ' 557' ' ' GLU . 49.0 mtm -58.12 -54.4 47.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.665 HD21 HD12 ' B' ' 593' ' ' LEU . 9.3 tt -50.46 -60.65 2.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.94 -33.31 73.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -67.44 -42.4 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.452 ' HD3' HD13 ' B' ' 545' ' ' LEU . 8.0 mtp85 -77.19 -34.07 56.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' B' ' 562' ' ' LEU . 0.2 OUTLIER -75.73 -26.81 57.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 2.0 t80 -48.41 -58.17 8.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.8 Cg_endo -69.82 -42.78 3.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.552 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -51.34 -35.65 39.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.761 HD12 ' HB ' ' B' ' 582' ' ' THR . 94.0 mt -75.81 -34.41 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -56.85 -22.17 34.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.24 -32.94 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.713 ' CE ' HG21 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -116.82 -37.9 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.662 ' CE1' HG21 ' B' ' 611' ' ' VAL . 12.3 m80 -128.27 76.14 78.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -7.88 22.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.2 p -100.31 -47.56 4.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -93.75 12.11 26.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.39 -53.12 49.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.51 -52.02 30.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . 0.449 ' HB2' HD11 ' B' ' 614' ' ' LEU . 13.7 mmtm -62.66 -48.28 80.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.66 HG22 HD22 ' B' ' 585' ' ' LEU . 17.7 mt -54.67 -60.71 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.761 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.4 t -57.52 -32.72 67.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.33 -60.53 8.42 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.623 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 35.7 mtm -64.91 -45.39 86.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.66 HD22 HG22 ' B' ' 581' ' ' ILE . 6.9 mp -57.97 -30.53 66.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.574 ' HA ' HD11 ' B' ' 593' ' ' LEU . 5.3 tt -82.78 -19.49 37.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -76.92 -56.52 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.66 -62.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 174.24 111.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.625 ' HB3' HD13 ' B' ' 562' ' ' LEU . 90.9 m-20 -51.66 -46.38 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.77 -39.41 58.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.82 -33.38 75.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.665 HD12 HD21 ' B' ' 562' ' ' LEU . 3.1 mt -71.83 -36.31 70.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.74 -21.44 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -108.66 -16.32 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 4.0 tmm? -89.27 -37.09 15.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.858 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -64.94 -12.69 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.858 ' N ' HD13 ' B' ' 597' ' ' LEU . 1.4 pp20? -73.62 -8.33 55.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 22.8 t -123.31 137.46 28.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 0.0 110.935 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -59.46 -26.01 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.11 -51.4 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.57 HD11 ' HE3' ' B' ' 573' ' ' MET . 1.6 tm? -52.98 -60.04 3.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.515 ' N ' HD13 ' B' ' 603' ' ' LEU . 22.8 ttm180 -56.15 -41.55 75.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.4 t -56.28 -50.83 70.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -58.74 -53.74 54.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.713 HG21 ' CE ' ' B' ' 573' ' ' MET . 83.9 t -51.59 -51.78 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.22 -48.49 73.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . 0.503 ' O ' HG23 ' B' ' 613' ' ' VAL . 8.8 tp10 -57.3 -53.33 59.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.623 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.38 -60.17 3.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.662 HG21 ' CE1' ' B' ' 574' ' ' HIS . 57.4 t -50.87 -46.17 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.0 74.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.691 HG21 ' HG ' ' A' ' 69' ' ' LEU . 96.6 t -64.57 -42.58 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.449 HD11 ' HB2' ' B' ' 580' ' ' LYS . 12.9 mt -50.43 -36.95 35.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -53.51 -37.36 62.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -54.23 -29.56 46.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.089 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -105.3 -67.26 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -148.55 137.56 21.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -110.86 76.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt 58.98 31.8 21.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -79.27 -30.35 42.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . 59.42 52.41 5.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.821 0.344 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -142.66 141.16 31.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.2 p -80.98 -35.73 31.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -52.56 171.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.546 ' HG3' HG22 ' B' ' 613' ' ' VAL . 35.1 tt0 -51.4 150.11 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.686 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -114.51 -178.96 3.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -100.68 131.86 46.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.441 HG23 ' CD2' ' B' ' 614' ' ' LEU . 14.5 p -84.83 -12.46 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.72 -22.97 63.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.29 119.24 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.48 161.39 0.83 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.714 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HA ' ' HA3' ' B' ' 583' ' ' GLY . 53.8 Cg_endo -69.81 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -172.61 -169.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 67.7 t -109.74 83.09 2.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -171.04 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.387 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -119.73 63.57 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.6 p -139.47 143.89 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -98.53 -61.05 1.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.92 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -174.16 139.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.763 0.316 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -140.47 71.57 31.81 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.632 0.73 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.78 48.43 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.674 HD13 ' N ' ' B' ' 546' ' ' THR . 0.9 OUTLIER -148.39 132.46 17.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . 0.674 ' N ' HD13 ' B' ' 545' ' ' LEU . 9.0 t -163.91 167.41 20.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -57.22 -23.7 49.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 1.9 t -80.92 -34.21 33.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . 0.482 ' H ' HG23 ' B' ' 546' ' ' THR . 43.1 mmm -57.76 -52.07 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' B' ' 558' ' ' GLN . 4.8 mt -71.88 -21.38 61.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.62 80.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.4 t -95.69 25.67 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -127.78 160.49 60.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 111.135 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.4 Cg_endo -69.8 167.47 24.4 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . 0.4 ' HA ' ' HG3' ' B' ' 558' ' ' GLN . 53.5 Cg_endo -69.77 -8.19 22.97 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.739 2.293 . . . . 0.0 112.348 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -97.42 -44.25 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.43 -18.12 65.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.446 ' HA ' HD22 ' B' ' 550' ' ' LEU . 5.2 mt-30 -56.83 -65.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.619 ' HB2' HD21 ' B' ' 586' ' ' LEU . 25.4 pttt -58.8 -30.26 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.66 -66.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . 0.402 ' HB3' HD23 ' B' ' 545' ' ' LEU . 38.1 mtm -61.53 -54.35 44.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.731 HD21 HD12 ' B' ' 593' ' ' LEU . 8.7 tt -51.25 -60.93 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.33 -31.97 67.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -64.79 -46.59 81.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.906 0.384 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.48 -31.39 57.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.459 HD13 ' HG ' ' B' ' 562' ' ' LEU . 0.3 OUTLIER -75.59 -26.92 58.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.529 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.39 -58.17 9.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.76 -41.28 4.42 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.597 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.6 OUTLIER -51.49 -37.17 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.773 HD12 ' HB ' ' B' ' 582' ' ' THR . 95.2 mt -75.47 -33.83 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -57.28 -21.09 32.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.98 -35.26 45.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.753 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.2 OUTLIER -115.18 -35.06 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.789 ' CE1' HG21 ' B' ' 611' ' ' VAL . 6.1 m80 -130.27 76.05 78.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.561 0.696 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -7.14 20.29 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.716 2.278 . . . . 0.0 112.354 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.5 p -100.14 -51.21 3.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.548 HD11 ' HB1' ' B' ' 619' ' ' ALA . 2.8 mm? -90.96 12.9 18.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.23 -54.3 32.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.51 -50.7 35.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . 0.484 ' NZ ' HD22 ' B' ' 614' ' ' LEU . 14.7 mmtp -63.06 -48.08 80.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.663 HG22 HD22 ' B' ' 585' ' ' LEU . 15.7 mt -55.81 -60.29 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.773 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.6 t -56.9 -33.1 66.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 75' ' ' PRO . . . -61.44 -60.7 7.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.617 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 41.8 mtm -63.08 -43.39 98.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.663 HD22 HG22 ' B' ' 581' ' ' ILE . 6.5 mp -61.59 -29.15 69.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.619 HD21 ' HB2' ' B' ' 559' ' ' LYS . 7.3 tt -81.38 -20.78 39.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' B' ' 588' ' ' ILE . 0.9 OUTLIER -77.46 -56.93 4.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.03 -62.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 175.33 113.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.648 ' HB3' HD13 ' B' ' 562' ' ' LEU . 88.3 m-20 -52.99 -45.38 67.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.91 -45.32 60.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -60.28 -39.24 86.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.731 HD12 HD21 ' B' ' 562' ' ' LEU . 3.1 mt -64.67 -37.93 89.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 10.7 mt -64.86 -14.81 60.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -109.81 -18.16 13.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 28.4 mtm -91.68 -34.26 14.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.827 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -65.03 -12.09 46.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.827 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.1 pt-20 -94.25 30.76 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 30.2 t -165.68 141.57 4.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.66 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.06 -19.43 52.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 21.2 m -91.96 -53.66 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.469 ' C ' HD13 ' B' ' 603' ' ' LEU . 2.9 tm? -56.82 -59.21 5.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -55.14 -42.71 73.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.4 t -55.13 -52.35 63.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.459 ' HB3' HD21 ' B' ' 585' ' ' LEU . 30.8 mmmt -58.73 -57.63 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.753 HG11 ' HG3' ' B' ' 573' ' ' MET . 86.6 t -50.46 -53.91 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -56.17 -47.97 77.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . 0.423 ' O ' HG23 ' B' ' 613' ' ' VAL . 4.1 tp10 -57.56 -54.36 47.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.617 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.28 -60.15 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.789 HG21 ' CE1' ' B' ' 574' ' ' HIS . 38.5 t -51.05 -41.25 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.79 -41.1 94.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.686 HG21 ' HG ' ' A' ' 69' ' ' LEU . 97.4 t -64.78 -43.42 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.484 HD22 ' NZ ' ' B' ' 580' ' ' LYS . 31.9 mt -55.15 -41.84 72.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.73 -23.43 42.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' B' ' 613' ' ' VAL . . . -66.53 -27.46 67.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -118.11 -68.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -171.68 137.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . 0.548 ' HB1' HD11 ' B' ' 577' ' ' LEU . . . -115.34 -75.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -117.95 29.6 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 63.26 56.5 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -136.32 -41.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.815 0.34 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -135.92 118.02 15.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -77.77 61.32 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -154.33 -176.02 5.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -50.81 129.14 22.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.696 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.2 pp -112.7 -176.61 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.487 ' ND2' ' HB2' ' A' ' 73' ' ' ALA . 31.2 p-10 -99.81 134.58 42.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.599 HG23 HD23 ' B' ' 614' ' ' LEU . 14.6 p -88.36 -19.44 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -70.2 -19.52 63.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.487 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . . . -51.51 117.46 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 155.81 2.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.554 0.692 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.525 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.4 Cg_endo -69.76 -90.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.304 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -172.57 -170.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.548 HG13 ' CG ' ' B' ' 560' ' ' GLN . 2.9 p -109.65 83.9 2.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 179.84 3.42 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.624 2.216 . . . . 0.0 112.39 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -113.51 25.98 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.2 t -96.58 117.93 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 40.7 p-80 -120.38 27.35 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.077 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -96.26 60.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -153.78 71.07 6.6 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.687 0.756 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 163.43 38.27 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.587 HD21 ' HD3' ' B' ' 565' ' ' ARG . 14.4 mt -91.21 177.46 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.55 141.1 30.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -56.46 -24.98 49.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 13.5 t -65.36 -44.01 89.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 44.5 mtp -52.65 -45.58 66.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.518 HD22 HD11 ' B' ' 594' ' ' LEU . 5.4 mp -81.8 -23.32 36.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.5 81.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 5.0 p -96.0 27.16 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -127.38 160.96 57.44 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.634 0.73 . . . . 0.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.1 Cg_endo -69.77 168.02 22.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -8.63 24.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -96.55 -43.94 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -61.46 -25.37 67.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.426 ' CD ' HD23 ' B' ' 550' ' ' LEU . 6.5 mt-30 -55.48 -71.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.498 ' HE2' HG12 ' A' ' 77' ' ' VAL . 14.9 ptmt -51.86 -32.84 33.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . 0.548 ' CG ' HG13 ' A' ' 77' ' ' VAL . 55.4 mt-30 -64.15 -69.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.9 mtm -56.16 -54.93 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.701 HD21 HD12 ' B' ' 593' ' ' LEU . 9.2 tt -51.59 -60.05 3.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.65 -43.34 86.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.492 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -56.51 -49.09 75.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.934 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.587 ' HD3' HD21 ' B' ' 545' ' ' LEU . 0.2 OUTLIER -72.49 -25.59 61.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.5 -27.25 58.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.519 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.16 -58.32 9.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.3 Cg_endo -69.74 -36.97 9.87 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.535 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.9 OUTLIER -52.13 -44.5 64.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.465 HG21 ' HB ' ' B' ' 581' ' ' ILE . 12.0 mt -75.49 -33.36 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -58.64 -19.53 39.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.22 -24.07 52.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.639 ' CE ' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -128.29 -38.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.701 ' CD2' HG21 ' B' ' 611' ' ' VAL . 58.9 m80 -125.98 73.7 71.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.02 19.99 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.519 ' OG1' HD22 ' B' ' 577' ' ' LEU . 11.6 p -93.86 -54.56 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.519 HD22 ' OG1' ' B' ' 576' ' ' THR . 2.5 mm? -92.84 19.15 7.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -53.36 -52.42 59.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -53.01 -51.15 47.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.57 -47.03 85.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.587 HG22 HD22 ' B' ' 585' ' ' LEU . 22.1 mt -57.14 -60.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.418 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.3 t -55.47 -33.92 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.12 -60.36 8.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.454 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.608 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 39.3 mtm -63.67 -42.16 98.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.838 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.587 HD22 HG22 ' B' ' 581' ' ' ILE . 7.5 mp -63.05 -27.24 69.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.526 ' HA ' HD11 ' B' ' 593' ' ' LEU . 2.2 tt -83.64 -20.39 33.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' B' ' 588' ' ' ILE . 15.5 tp10 -77.71 -54.56 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.459 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.36 -61.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.39 107.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.655 ' HB3' HD13 ' B' ' 562' ' ' LEU . 84.0 m-20 -51.83 -44.74 63.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -43.31 61.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -62.92 -37.5 87.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.701 HD12 HD21 ' B' ' 562' ' ' LEU . 2.2 mt -68.19 -35.67 78.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.518 HD11 HD22 ' B' ' 550' ' ' LEU . 12.7 mt -61.62 -16.46 48.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -118.22 -13.09 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 16.0 ttp -87.55 -22.0 25.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.73 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -71.08 -6.23 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.543 ' N ' HD13 ' B' ' 597' ' ' LEU . 25.1 mt-10 -93.69 -10.55 34.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.78 125.69 33.2 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.688 0.756 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.43 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.69 -18.16 64.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 68.8 m -83.81 -51.84 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.639 HD11 ' CE ' ' B' ' 573' ' ' MET . 8.1 tp -50.97 -62.74 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -44.29 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 12.7 t -57.01 -53.32 59.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -52.94 -54.42 35.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.493 HG21 ' CE ' ' B' ' 573' ' ' MET . 97.4 t -55.14 -50.33 64.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.23 -52.35 63.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.3 -53.85 48.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.608 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -50.8 -60.37 3.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.701 HG21 ' CD2' ' B' ' 574' ' ' HIS . 61.9 t -49.71 -42.18 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.58 91.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.696 HG21 ' HG ' ' A' ' 69' ' ' LEU . 97.9 t -63.83 -44.76 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.599 HD23 HG23 ' A' ' 71' ' ' VAL . 39.6 mt -55.56 -34.6 64.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -17.13 59.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -86.47 -30.33 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . 0.593 ' HB2' HG11 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -114.83 -75.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -154.72 124.05 6.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -119.3 -75.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.22 46.89 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 17.6 pm0 -56.47 -25.0 49.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . 53.92 55.72 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.65 ' N ' HG21 ' B' ' 588' ' ' ILE . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.807 0.337 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.612 ' CE2' HG22 ' B' ' 588' ' ' ILE . 0.1 OUTLIER -105.83 -63.97 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.8 p -125.21 -52.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -155.14 -74.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -94.49 163.27 13.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.689 HD12 HG11 ' B' ' 613' ' ' VAL . 3.1 pp -125.36 -175.38 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.457 ' ND2' ' HB2' ' A' ' 73' ' ' ALA . 7.4 p-10 -108.41 138.87 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.554 ' HB ' HG12 ' B' ' 613' ' ' VAL . 9.4 p -88.5 -10.21 10.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -79.09 -2.86 42.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.457 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . . . -68.3 122.46 18.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -52.18 154.79 3.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -89.84 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.313 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.488 ' HB3' HD22 ' B' ' 586' ' ' LEU . 8.3 p90 -172.44 -170.35 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.665 HG23 ' HG3' ' B' ' 560' ' ' GLN . 5.2 m -109.86 83.33 2.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -177.37 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.363 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -105.03 30.7 5.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -90.63 86.35 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -105.06 -29.89 10.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -133.43 42.65 2.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.776 0.322 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -163.39 68.44 1.74 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.721 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.63 161.11 47.2 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.541 HD13 ' HG3' ' B' ' 565' ' ' ARG . 10.0 tp -73.1 150.32 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 30.9 p -138.16 144.44 40.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -54.96 -26.44 36.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.05 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 1.9 t -62.91 -38.35 90.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 25.8 mmm -61.96 -28.11 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.459 ' HG ' HD11 ' B' ' 594' ' ' LEU . 2.3 mm? -88.75 -43.96 10.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.65 93.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 19.7 m -94.14 40.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -146.18 160.44 42.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.707 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.3 Cg_endo -69.83 168.22 22.29 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -8.19 22.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.291 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -97.76 -41.4 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -68.77 -23.41 64.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -51.98 -70.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.649 ' HB2' HD11 ' B' ' 586' ' ' LEU . 0.7 OUTLIER -57.16 -30.7 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . 0.665 ' HG3' HG23 ' A' ' 77' ' ' VAL . 19.2 mt-30 -62.13 -63.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 33.5 mtm -66.91 -56.85 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.777 HD21 HD12 ' B' ' 593' ' ' LEU . 9.7 tt -52.11 -54.19 33.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.97 -49.74 75.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.49 -39.1 75.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.541 ' HG3' HD13 ' B' ' 545' ' ' LEU . 0.0 OUTLIER -75.45 -30.69 60.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.04 -25.69 55.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.528 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.77 -57.96 10.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.707 . . . . 0.0 110.838 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.74 -42.4 3.46 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.629 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.8 OUTLIER -51.56 -36.57 45.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.696 HD12 ' HB ' ' B' ' 582' ' ' THR . 97.9 mt -76.45 -32.19 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' B' ' 567' ' ' PHE . 30.0 mt-30 -58.8 -19.62 42.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -55.58 -24.19 31.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.61 ' CE ' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -127.99 -42.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.601 ' CD2' HG21 ' B' ' 611' ' ' VAL . 37.7 m80 -123.16 75.05 50.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.71 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.64 19.1 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.547 ' OG1' HD22 ' B' ' 577' ' ' LEU . 11.2 p -96.4 -53.42 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.547 HD22 ' OG1' ' B' ' 576' ' ' THR . 2.5 mm? -91.28 16.62 9.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.94 -37.16 60.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -66.73 -53.13 29.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . 0.584 ' HD3' HD13 ' B' ' 614' ' ' LEU . 20.8 mtpt -63.1 -43.21 99.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.48 HG22 HD13 ' B' ' 570' ' ' ILE . 26.8 mt -59.07 -60.22 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.696 ' HB ' HD12 ' B' ' 570' ' ' ILE . 6.2 t -56.74 -32.86 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.44 -59.92 8.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.652 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 39.2 mtm -62.45 -43.87 97.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.522 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.5 mp -61.33 -30.6 70.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' B' ' 559' ' ' LYS . 6.0 tt -80.91 -19.83 43.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.3 tm-20 -77.54 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.65 HG21 ' N ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -34.37 -62.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.66 112.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.725 ' HB3' HD13 ' B' ' 562' ' ' LEU . 76.1 m-20 -52.54 -48.15 66.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.07 -41.89 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -62.24 -37.16 84.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.777 HD12 HD21 ' B' ' 562' ' ' LEU . 1.8 mt -67.81 -39.99 83.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.459 HD11 ' HG ' ' B' ' 550' ' ' LEU . 12.3 mt -56.73 -21.37 27.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.37 -23.41 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . 0.446 ' HE3' ' HG3' ' B' ' 606' ' ' LYS . 0.0 OUTLIER -73.85 -47.14 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.881 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -63.17 -14.26 46.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.881 ' N ' HD13 ' B' ' 597' ' ' LEU . 70.5 mt-10 -67.79 -16.88 64.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.03 144.67 45.82 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.672 0.748 . . . . 0.0 110.817 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.64 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.95 -18.03 62.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 19.3 m -86.24 -55.13 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.61 HD11 ' CE ' ' B' ' 573' ' ' MET . 6.0 tp -52.31 -62.48 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -52.39 -42.74 64.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 13.0 t -56.25 -51.99 66.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.446 ' HG3' ' HE3' ' B' ' 596' ' ' MET . 28.9 mmmt -55.81 -54.43 44.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.547 HG21 ' CE ' ' B' ' 573' ' ' MET . 91.6 t -51.4 -48.59 33.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.91 -53.77 52.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -53.47 -53.18 55.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.652 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -50.8 -60.22 3.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.071 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.601 HG21 ' CD2' ' B' ' 574' ' ' HIS . 83.0 t -49.87 -42.15 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.161 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.3 91.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.689 HG11 HD12 ' A' ' 69' ' ' LEU . 70.1 t -65.69 -39.42 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.584 HD13 ' HD3' ' B' ' 580' ' ' LYS . 13.8 mt -51.45 -30.02 18.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -51.49 -38.72 55.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -58.43 -33.16 69.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . 0.526 ' HB2' HG11 ' A' ' 71' ' ' VAL . 15.5 t-80 -95.26 -72.44 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.45 147.46 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -116.58 73.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt 58.59 26.3 14.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 58.88 39.07 24.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -158.0 106.41 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.88 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.802 0.334 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -78.32 148.37 33.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.6 p -117.73 -13.58 10.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -143.62 -173.96 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.41 ' CD ' HG22 ' B' ' 613' ' ' VAL . 6.4 tp60 -51.03 143.92 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.694 ' HG ' HG21 ' B' ' 613' ' ' VAL . 4.0 pp -111.74 -175.03 2.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -109.92 137.24 47.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.444 ' HB ' HG12 ' B' ' 613' ' ' VAL . 11.1 p -84.34 -10.68 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -69.89 -11.29 60.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.16 122.51 14.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -51.24 157.19 1.65 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.711 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -89.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.359 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.701 ' HB3' HD22 ' B' ' 586' ' ' LEU . 7.8 p90 -172.28 -169.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.2 t -109.96 82.88 2.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 178.29 4.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.633 2.222 . . . . 0.0 112.35 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -119.73 29.82 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.72 HG22 ' H ' ' A' ' 82' ' ' ALA . 14.3 p -161.69 134.36 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -107.47 26.12 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.72 ' H ' HG22 ' A' ' 80' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -118.6 43.92 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.729 0.3 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -142.9 68.76 18.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.56 0.695 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.42 2.34 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.445 HD13 ' HD3' ' B' ' 565' ' ' ARG . 64.7 tp -59.83 144.45 48.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 1.1 m -146.59 144.94 29.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -62.0 -27.88 69.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 4.1 m -54.62 -36.49 64.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . 0.445 ' HE2' HD12 ' B' ' 545' ' ' LEU . 16.8 mtm -60.42 -69.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.668 HD22 HD11 ' B' ' 594' ' ' LEU . 5.3 mp -56.32 -25.58 49.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.2 63.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 29.1 m -96.82 25.7 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -121.94 160.44 47.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.103 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.8 Cg_endo -69.75 167.67 23.75 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.746 2.297 . . . . 0.0 112.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -8.79 24.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.714 2.276 . . . . 0.0 112.372 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -95.27 -45.99 6.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . 0.404 ' O ' ' HE2' ' B' ' 561' ' ' MET . 48.3 mt-10 -61.79 -23.29 66.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.454 ' CD ' HD23 ' B' ' 550' ' ' LEU . 5.7 mt-30 -55.36 -70.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.413 ' HB2' HD11 ' B' ' 586' ' ' LEU . 21.4 pttt -54.24 -32.52 56.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -63.86 -66.64 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . 0.404 ' HE2' ' O ' ' B' ' 557' ' ' GLU . 45.3 mtm -60.66 -59.92 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.67 HD23 HD13 ' B' ' 566' ' ' LEU . 6.2 tt -52.38 -54.49 31.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.52 -55.99 27.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -53.6 -37.97 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.445 ' HD3' HD13 ' B' ' 545' ' ' LEU . 23.9 mtt85 -74.81 -30.18 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.67 HD13 HD23 ' B' ' 562' ' ' LEU . 1.4 mp -76.14 -25.52 55.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.538 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.79 -57.73 11.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 0.0 110.884 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.4 Cg_endo -69.79 -40.78 4.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.732 2.288 . . . . 0.0 112.324 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.625 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.9 OUTLIER -52.89 -38.06 61.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.592 HD13 HG22 ' B' ' 581' ' ' ILE . 76.4 mt -75.36 -33.5 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' B' ' 575' ' ' PRO . 31.2 mt-30 -58.62 -19.94 43.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.83 -27.42 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.716 ' HE3' HG21 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -124.25 -39.27 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.722 ' CE1' HG21 ' B' ' 611' ' ' VAL . 6.4 m80 -125.27 73.52 67.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.696 . . . . 0.0 110.828 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . 0.404 ' HA ' ' HG2' ' B' ' 571' ' ' GLN . 54.1 Cg_endo -69.79 -7.22 20.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.2 p -98.68 -42.32 7.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.453 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -101.14 10.13 41.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -50.51 -31.36 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.77 -73.08 0.59 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -43.29 50.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.681 HD11 HG22 ' B' ' 611' ' ' VAL . 54.4 mt -54.08 -60.85 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -30.64 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.198 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.11 -60.26 8.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.618 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 33.1 mtm -64.86 -45.92 84.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.458 ' O ' HD11 ' B' ' 593' ' ' LEU . 9.7 mp -56.72 -31.76 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 76' ' ' PHE . 4.3 tt -83.33 -18.75 37.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' B' ' 588' ' ' ILE . 46.3 mm-40 -76.99 -56.24 4.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.6 OUTLIER -32.76 -61.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.87 108.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -51.49 -45.57 62.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -42.22 62.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.82 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.51 -35.53 80.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.54 HD11 ' HA ' ' B' ' 586' ' ' LEU . 2.0 mt -70.3 -35.41 73.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.668 HD11 HD22 ' B' ' 550' ' ' LEU . 16.9 mt -61.06 -16.96 49.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.42 -14.55 9.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 21.8 ttp -85.31 -22.39 28.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.737 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.27 -7.15 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.526 ' N ' HD13 ' B' ' 597' ' ' LEU . 17.9 mt-10 -93.03 -13.35 28.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.03 125.16 33.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.44 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -61.08 -23.85 65.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 14.3 m -83.22 -53.41 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.528 HD11 ' HE3' ' B' ' 573' ' ' MET . 2.5 tm? -51.33 -56.44 13.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -59.57 -36.88 77.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 15.7 t -63.96 -47.84 78.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -60.03 -58.71 7.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.716 HG21 ' HE3' ' B' ' 573' ' ' MET . 97.8 t -51.54 -51.38 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.87 -52.76 63.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . 0.411 ' O ' HG23 ' B' ' 613' ' ' VAL . 17.3 tp10 -54.18 -52.37 61.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.618 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.58 -59.85 3.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.722 HG21 ' CE1' ' B' ' 574' ' ' HIS . 39.4 t -50.78 -45.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -55.64 -43.31 76.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.694 HG21 ' HG ' ' A' ' 69' ' ' LEU . 95.8 t -63.11 -42.02 95.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.097 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . . . . . . . . . 10.2 mt -51.23 -30.84 18.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.79 -33.99 57.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.98 73.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -99.67 -74.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -151.64 135.45 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -120.7 75.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 2.5 tttp 56.1 30.26 16.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -77.55 -33.3 54.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -101.57 -50.35 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.067 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.739 ' HB2' ' HG2' ' B' ' 592' ' ' GLU . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.829 0.347 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.607 ' CE1' HG22 ' B' ' 588' ' ' ILE . 21.6 p90 -119.0 116.96 27.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -99.1 -15.45 18.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -50.91 -67.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -154.88 139.72 17.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.593 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -125.3 -176.49 3.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -102.38 138.12 39.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.571 HG23 ' CD2' ' B' ' 614' ' ' LEU . 6.8 p -88.33 -22.18 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -71.0 -15.84 62.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.64 117.92 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 160.24 1.04 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.42 ' HA ' ' HA3' ' B' ' 583' ' ' GLY . 53.9 Cg_endo -69.78 -90.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -172.69 -178.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.522 HG13 HE21 ' B' ' 560' ' ' GLN . 2.6 p -109.09 87.29 4.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 177.63 5.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -122.87 28.0 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 44.0 t -112.97 140.6 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -112.04 -34.02 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -175.89 132.16 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -151.36 69.62 8.14 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.651 0.739 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 159.24 54.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.439 HD11 ' CB ' ' B' ' 565' ' ' ARG . 11.3 mt -58.4 178.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 2.9 t -162.31 129.06 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -51.38 -30.19 18.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 20.6 p -56.61 -38.87 72.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 9.0 mmm -52.92 -72.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.456 HD22 HD11 ' B' ' 594' ' ' LEU . 5.3 mp -52.22 -31.78 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.66 -49.79 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 15.4 t -95.4 23.09 6.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.596 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -122.89 160.59 48.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.681 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.596 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.79 167.54 24.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.76 24.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -92.01 -53.78 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -56.37 -25.19 48.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.444 ' OE1' HD23 ' B' ' 550' ' ' LEU . 3.9 mt-30 -51.82 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.441 ' HB2' HD11 ' B' ' 586' ' ' LEU . 9.0 ptpp? -51.39 -30.26 18.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . 0.522 HE21 HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -63.39 -63.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 42.3 mtm -65.58 -55.52 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.706 HD13 ' OD1' ' B' ' 590' ' ' ASN . 4.6 tt -52.25 -54.62 28.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.04 -57.77 18.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -52.27 -38.82 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.359 . . . . 0.0 110.92 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.439 ' CB ' HD11 ' B' ' 545' ' ' LEU . 8.4 mmm180 -73.51 -30.85 63.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.664 HD13 HD23 ' B' ' 562' ' ' LEU . 1.4 mp -75.68 -24.52 56.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.514 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.0 -58.88 8.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.734 . . . . 0.0 110.849 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.73 -40.7 5.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.547 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.5 OUTLIER -51.66 -40.8 60.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.459 HG21 ' HB ' ' B' ' 581' ' ' ILE . 10.8 mt -75.73 -34.09 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' B' ' 575' ' ' PRO . 31.7 mt-30 -56.61 -20.51 21.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.49 -29.57 36.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.48 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -124.23 -37.91 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.725 ' CE1' HG11 ' B' ' 611' ' ' VAL . 53.9 m-70 -124.08 75.07 58.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . 0.401 ' HA ' ' HG2' ' B' ' 571' ' ' GLN . 53.5 Cg_endo -69.83 -7.1 20.21 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.22 -43.52 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.45 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -96.8 18.57 14.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -56.2 -55.84 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -51.69 -50.33 43.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.437 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . 0.6 ' HB3' HD11 ' B' ' 614' ' ' LEU . 6.1 mmtm -62.05 -48.44 80.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.641 HD11 HG22 ' B' ' 611' ' ' VAL . 25.3 mt -57.98 -61.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 7.7 t -53.42 -34.27 57.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 75' ' ' PRO . . . -62.02 -59.72 9.15 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.665 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 43.5 mtm -65.14 -42.57 93.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.549 HD22 HG22 ' B' ' 581' ' ' ILE . 9.8 mp -61.21 -30.08 70.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.598 ' HA ' HD11 ' B' ' 593' ' ' LEU . 5.2 tt -82.71 -19.23 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' B' ' 588' ' ' ILE . 8.0 tp10 -77.21 -56.4 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.607 HG22 ' CE1' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -33.59 -62.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.62 110.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.706 ' OD1' HD13 ' B' ' 562' ' ' LEU . 37.1 m-20 -51.95 -42.69 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.14 -39.49 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.739 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 11.8 tp10 -67.42 -33.45 75.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.598 HD11 ' HA ' ' B' ' 586' ' ' LEU . 3.1 mt -70.99 -36.97 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.456 HD11 HD22 ' B' ' 550' ' ' LEU . 12.4 mt -63.87 -15.89 60.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -114.64 -16.36 11.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . 0.455 ' HE3' ' HA ' ' B' ' 593' ' ' LEU . 4.9 tmm? -91.64 -31.85 15.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.833 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -65.04 -12.17 47.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.833 ' N ' HD13 ' B' ' 597' ' ' LEU . 1.2 pt-20 -94.95 31.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 16.9 t -152.16 134.51 8.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.711 0.767 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.624 2.216 . . . . 0.0 112.366 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.28 -24.77 66.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.4 -43.75 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.466 ' C ' HD13 ' B' ' 603' ' ' LEU . 2.8 tm? -61.53 -56.92 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.959 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -35.21 73.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 11.6 t -62.22 -52.63 63.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -60.02 -58.1 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.555 ' O ' HG23 ' B' ' 611' ' ' VAL . 78.5 t -51.51 -52.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.71 -48.51 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -56.54 -54.34 46.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.665 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.03 -60.12 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.725 HG11 ' CE1' ' B' ' 574' ' ' HIS . 38.3 t -51.34 -39.45 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.41 99.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.593 HG21 ' HG ' ' A' ' 69' ' ' LEU . 88.1 t -64.68 -39.71 86.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' B' ' 580' ' ' LYS . 36.8 mt -52.84 -30.32 32.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -56.63 -24.69 49.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -75.83 -23.45 55.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . 0.457 ' HB2' HG11 ' A' ' 71' ' ' VAL . 45.2 t-80 -98.69 -36.19 9.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 59.02 74.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -99.35 -75.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -57.1 -26.13 59.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 61.9 33.69 17.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -72.61 88.93 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.582 ' HB2' ' CD ' ' B' ' 592' ' ' GLU . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.787 0.327 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -112.78 115.82 29.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.5 p -61.85 -30.44 70.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -53.55 173.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -51.57 145.3 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.655 ' CD1' HG21 ' B' ' 613' ' ' VAL . 2.5 pp -121.9 169.88 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -87.33 137.34 32.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.8 p -92.6 -22.22 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -70.03 -10.95 60.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.6 118.72 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -51.87 137.81 34.65 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.538 0.685 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.701 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.8 Cg_endo -69.73 -89.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -171.61 -173.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.794 HG23 ' HG2' ' B' ' 560' ' ' GLN . 5.0 m -109.48 85.35 3.61 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 179.34 3.82 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -103.26 39.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.4 m -149.18 148.26 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.8 m-70 -74.26 -53.41 9.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.908 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -170.51 136.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.733 0.302 . . . . 0.0 110.962 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -146.77 71.06 12.54 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.633 0.73 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 142.78 48.69 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.727 HD11 ' CB ' ' B' ' 565' ' ' ARG . 0.6 OUTLIER -68.18 -166.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 9.2 t -147.94 166.25 28.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . 0.472 ' HA ' HD13 ' B' ' 594' ' ' LEU . . . -59.03 -21.12 58.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.072 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . 0.519 ' O ' ' HB3' ' B' ' 551' ' ' ALA . 14.5 m -58.22 -45.05 88.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -51.57 -53.18 40.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.644 HD22 ' HA ' ' B' ' 558' ' ' GLN . 5.1 mt -77.32 -11.72 59.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' B' ' 548' ' ' SER . . . -62.37 -52.51 63.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 18.5 t -95.8 33.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -132.9 160.34 68.98 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 111.082 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.81 167.85 23.31 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.388 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.58 23.98 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.706 2.27 . . . . 0.0 112.338 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -96.86 -42.9 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . 0.433 ' HB3' ' HE2' ' B' ' 561' ' ' MET . 40.8 mt-10 -64.19 -22.53 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.644 ' HA ' HD22 ' B' ' 550' ' ' LEU . 6.3 mt-30 -54.58 -64.16 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.632 ' HB2' HD21 ' B' ' 586' ' ' LEU . 18.5 ptpt -59.04 -33.98 71.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . 0.794 ' HG2' HG23 ' A' ' 77' ' ' VAL . 51.2 mt-30 -63.11 -65.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . 0.433 ' HE2' ' HB3' ' B' ' 557' ' ' GLU . 54.7 mtm -58.63 -57.58 12.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.7 HD21 HD12 ' B' ' 593' ' ' LEU . 9.2 tt -50.45 -60.67 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.17 -39.74 81.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.52 -47.64 83.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.727 ' CB ' HD11 ' B' ' 545' ' ' LEU . 1.8 mpt_? -75.03 -26.15 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -26.72 57.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -50.19 -58.19 10.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.881 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.75 -40.17 5.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.764 2.309 . . . . 0.0 112.324 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.566 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -53.87 -37.18 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.615 HD13 HG22 ' B' ' 581' ' ' ILE . 94.7 mt -75.41 -34.39 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -58.06 -20.41 39.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.67 -30.27 21.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.758 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -122.64 -37.4 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.704 ' CD2' HG21 ' B' ' 611' ' ' VAL . 9.2 m-70 -125.89 73.84 70.7 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.723 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -7.81 22.01 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.65 2.234 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.4 p -95.15 -56.68 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.452 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.61 11.76 21.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.02 -33.78 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -62.91 -72.46 0.66 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . 0.456 ' HG2' HD22 ' B' ' 614' ' ' LEU . 1.0 OUTLIER -49.36 -41.12 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 110.932 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.615 HG22 HD13 ' B' ' 570' ' ' ILE . 51.2 mt -55.01 -60.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -30.41 66.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.17 -60.16 7.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.443 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.75 ' HE1' ' HB1' ' B' ' 610' ' ' ALA . 34.2 mtm -62.68 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.512 ' O ' HD21 ' B' ' 593' ' ' LEU . 7.6 mp -61.75 -30.63 70.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 75' ' ' PRO . 8.3 tt -81.4 -19.68 42.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -77.34 -57.59 3.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.4 OUTLIER -33.92 -62.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 174.86 112.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.639 ' HB3' HD13 ' B' ' 562' ' ' LEU . 74.6 m-20 -51.71 -48.82 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -41.67 59.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.582 ' CD ' ' HB2' ' A' ' 64' ' ' ALA . 4.2 tt0 -62.6 -34.75 77.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.7 HD12 HD21 ' B' ' 562' ' ' LEU . 1.9 mt -70.74 -38.89 73.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' B' ' 547' ' ' ALA . 27.3 mt -60.86 -18.14 54.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -108.87 -24.56 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 11.6 mtm -77.47 -42.23 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.869 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -62.35 -14.84 44.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.869 ' N ' HD13 ' B' ' 597' ' ' LEU . 57.1 mt-10 -69.35 -25.77 64.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.35 147.58 50.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.747 . . . . 0.0 110.83 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -44.2 2.2 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.701 2.268 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -56.9 -23.63 46.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.5 m -90.31 -53.86 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.471 ' C ' HD13 ' B' ' 603' ' ' LEU . 2.6 tm? -56.02 -61.39 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -52.57 -46.41 66.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.6 t -52.07 -51.72 55.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -57.67 -56.65 19.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.758 HG11 ' HG3' ' B' ' 573' ' ' MET . 88.5 t -50.37 -52.1 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -57.2 -55.29 36.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -52.33 -53.01 49.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.75 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -51.01 -60.27 3.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.704 HG21 ' CD2' ' B' ' 574' ' ' HIS . 42.3 t -50.21 -39.62 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.33 98.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.655 HG21 ' CD1' ' A' ' 69' ' ' LEU . 76.5 t -63.97 -42.2 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.656 HD21 ' CE ' ' B' ' 584' ' ' MET . 7.6 mt -51.12 -31.48 19.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -52.77 -29.04 25.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -68.42 -35.01 77.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.19 -74.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -151.95 131.17 12.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -122.76 61.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt 54.02 29.53 10.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -102.97 35.49 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -102.8 90.88 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.514 ' HB2' ' HG2' ' B' ' 592' ' ' GLU . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.832 0.349 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -129.99 130.43 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 m -108.27 -13.82 14.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.4 ptt-85 -51.34 -47.53 62.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -179.47 140.09 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.691 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -129.88 -176.2 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.633 ' OD1' ' HB2' ' A' ' 73' ' ' ALA . 29.8 p-10 -100.61 135.74 41.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.528 ' HB ' HG12 ' B' ' 613' ' ' VAL . 13.2 p -83.62 -25.07 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.25 -3.96 45.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.633 ' HB2' ' OD1' ' A' ' 70' ' ' ASN . . . -52.48 130.56 32.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -49.92 138.72 18.13 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.478 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.6 Cg_endo -69.84 -89.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.555 ' HB3' HD13 ' B' ' 586' ' ' LEU . 11.1 p90 -172.02 -169.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.612 HG23 ' CE ' ' B' ' 559' ' ' LYS . 97.7 t -109.89 82.92 2.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.6 0.714 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -179.59 3.03 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.237 . . . . 0.0 112.321 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.96 33.77 5.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.5 t -99.25 95.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -77.63 -34.6 53.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.45 172.05 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 53.45 72.84 1.04 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.11 15.07 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.44 HD22 ' HG2' ' B' ' 565' ' ' ARG . 6.6 tp -89.66 147.34 23.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 13.1 t -169.47 169.96 8.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . 0.442 ' HA ' HD13 ' B' ' 594' ' ' LEU . . . -56.26 -34.25 66.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 54.2 m -57.52 -26.84 61.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 4.2 mmt -62.3 -55.97 23.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' B' ' 558' ' ' GLN . 6.3 mt -77.64 -24.0 49.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.38 60.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 1.2 t -95.19 39.32 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -141.44 160.37 57.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.718 . . . . 0.0 111.083 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.8 Cg_endo -69.8 168.02 22.82 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.636 2.224 . . . . 0.0 112.348 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -8.77 24.45 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -96.63 -42.71 7.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -65.89 -22.49 66.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.474 ' HA ' HD22 ' B' ' 550' ' ' LEU . 4.2 mt-30 -54.37 -72.25 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.612 ' CE ' HG23 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -53.85 -30.74 46.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -64.58 -67.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 50.8 mtm -57.72 -53.42 58.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.67 HD21 HD12 ' B' ' 593' ' ' LEU . 10.1 tt -52.64 -60.14 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -55.54 -47.03 79.37 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.41 -48.32 68.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.44 ' HG2' HD22 ' B' ' 545' ' ' LEU . 11.4 tpt85 -71.29 -27.23 63.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.5 -24.8 56.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.508 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.47 -58.94 7.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.908 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.78 -38.48 7.69 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.557 ' O ' HD13 ' B' ' 569' ' ' LEU . 1.0 OUTLIER -51.44 -43.07 61.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.484 HD12 ' HB ' ' B' ' 582' ' ' THR . 19.7 mt -75.83 -34.05 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' B' ' 575' ' ' PRO . 65.3 mt-30 -57.39 -19.85 25.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.0 -27.05 17.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.486 ' HE3' HG21 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -127.87 -42.02 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.647 ' CD2' HG21 ' B' ' 611' ' ' VAL . 56.3 m80 -119.37 74.22 15.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . 0.4 ' HA ' ' HG2' ' B' ' 571' ' ' GLN . 53.7 Cg_endo -69.8 -7.29 20.69 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 3.2 p -95.01 -53.31 3.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.462 ' HG ' HD12 ' B' ' 614' ' ' LEU . 2.7 mm? -92.49 19.27 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.47 -45.11 73.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -60.46 -50.82 63.38 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . 0.565 ' HD3' HD22 ' B' ' 614' ' ' LEU . 23.8 mttp -62.85 -44.26 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.716 0.293 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.531 HG22 HD22 ' B' ' 585' ' ' LEU . 25.0 mt -58.99 -60.94 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.484 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.2 t -55.28 -34.02 63.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.49 -59.86 9.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.674 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 42.7 mtm -61.89 -45.81 92.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.54 ' O ' HD21 ' B' ' 593' ' ' LEU . 6.9 mp -60.12 -29.4 68.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' B' ' 559' ' ' LYS . 8.8 tt -81.22 -20.26 41.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' B' ' 588' ' ' ILE . 1.4 tm-20 -77.58 -57.22 3.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -34.05 -62.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.27 113.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.556 ' HB3' HD13 ' B' ' 562' ' ' LEU . 77.6 m-20 -52.72 -45.46 66.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.4 t -50.91 -44.95 60.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 29.0 tp10 -60.62 -38.7 85.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.67 HD12 HD21 ' B' ' 562' ' ' LEU . 2.7 mt -65.61 -37.42 86.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' B' ' 547' ' ' ALA . 18.0 mt -64.31 -15.26 59.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -110.45 -18.36 13.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 29.5 mtm -90.79 -34.03 15.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.819 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -65.01 -12.01 45.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.972 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.819 ' N ' HD13 ' B' ' 597' ' ' LEU . 0.2 OUTLIER -94.17 30.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.64 141.63 6.88 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.686 0.755 . . . . 0.0 110.859 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.16 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.347 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -60.3 -21.57 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.3 m -85.72 -56.31 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.418 ' O ' HG23 ' B' ' 607' ' ' VAL . 13.0 tp -54.94 -54.41 43.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 25.3 ttp180 -57.57 -45.34 85.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.3 t -55.55 -55.28 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.44 ' HB3' HD21 ' B' ' 585' ' ' LEU . 31.1 mmmt -55.33 -59.1 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.558 ' O ' HG23 ' B' ' 611' ' ' VAL . 99.6 t -50.51 -52.36 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -56.29 -56.94 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -51.74 -53.72 36.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.674 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -50.27 -60.09 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.647 HG21 ' CD2' ' B' ' 574' ' ' HIS . 62.7 t -50.53 -38.86 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.13 99.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.691 HG21 ' HG ' ' A' ' 69' ' ' LEU . 72.2 t -63.1 -41.93 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.565 HD22 ' HD3' ' B' ' 580' ' ' LYS . 16.1 mt -50.97 -31.07 16.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -52.7 -30.64 33.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -65.22 -36.02 82.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -97.88 -73.69 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -156.89 145.0 19.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -133.67 65.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 52.26 30.2 7.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -92.99 79.57 4.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -172.98 138.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.823 0.344 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -113.19 175.69 5.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.8 t -105.84 -45.45 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -56.99 179.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -56.71 179.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.677 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.6 pp -132.56 -175.89 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -110.0 138.52 46.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.496 ' HB ' HG12 ' B' ' 613' ' ' VAL . 9.6 p -88.22 -7.6 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -76.36 -12.42 60.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.468 ' HB1' ' HG3' ' B' ' 587' ' ' GLU . . . -61.17 117.13 5.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -51.51 156.86 1.98 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.663 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.8 Cg_endo -69.74 -90.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -172.52 -168.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 5.5 m -109.98 82.32 2.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -176.79 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -133.0 31.27 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.7 m -122.95 169.83 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -67.97 -35.28 78.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -121.76 47.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.919 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -153.94 72.64 6.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 148.17 64.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 14.3 tp -87.52 144.98 26.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . 0.411 HG22 ' H ' ' B' ' 547' ' ' ALA . 0.2 OUTLIER -155.54 167.69 29.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . 0.627 ' HA ' HD13 ' B' ' 594' ' ' LEU . . . -61.88 -26.17 67.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.078 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 16.9 m -52.4 -39.2 60.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 12.5 mtt -62.39 -39.68 94.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.645 HD22 HD11 ' B' ' 594' ' ' LEU . 10.1 mp -96.87 28.74 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.89 -49.03 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 4.5 m -101.96 29.34 5.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -124.52 160.43 53.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.71 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 54.0 Cg_endo -69.78 167.72 23.65 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.642 2.228 . . . . 0.0 112.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -10.18 27.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -94.72 -44.42 7.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -61.22 -24.77 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -55.38 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.51 ' HB2' HD11 ' B' ' 586' ' ' LEU . 15.0 ptpt -53.58 -34.63 59.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -63.47 -66.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 48.1 mtm -58.27 -58.15 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.606 HD13 ' HB3' ' B' ' 590' ' ' ASN . 10.2 tt -52.38 -60.01 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.22 -47.95 60.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -54.19 -44.78 71.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 7.3 mmt-85 -73.97 -26.63 60.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.62 -26.67 57.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.51 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -48.92 -58.66 7.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.66 -39.71 6.37 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.734 2.29 . . . . 0.0 112.351 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.492 HD13 ' C ' ' B' ' 569' ' ' LEU . 3.5 tm? -51.72 -40.36 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 22.0 mt -75.27 -33.32 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -58.36 -20.18 41.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -57.32 -31.33 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.612 ' HE3' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -120.61 -26.67 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.588 ' NE2' HG21 ' B' ' 611' ' ' VAL . 4.8 m80 -137.47 72.65 50.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.39 20.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 2.3 p -95.91 -57.42 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.454 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.43 12.58 18.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.31 -32.34 10.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.84 -74.69 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.3 -42.36 30.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.57 HD11 HG22 ' B' ' 611' ' ' VAL . 60.4 mt -55.0 -60.01 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -31.84 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.24 -58.95 9.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.681 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 32.6 mtm -64.82 -42.12 95.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.5 ' O ' HD11 ' B' ' 593' ' ' LEU . 9.6 mp -61.24 -30.44 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 75' ' ' PRO . 2.3 tt -83.11 -18.95 37.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.468 ' HG3' ' HB1' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -76.99 -55.86 5.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.0 -61.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 174.78 104.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.606 ' HB3' HD13 ' B' ' 562' ' ' LEU . 70.9 m-20 -51.62 -42.58 62.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -37.2 65.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.86 -32.57 71.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' B' ' 586' ' ' LEU . 2.5 mt -72.99 -33.96 66.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.645 HD11 HD22 ' B' ' 550' ' ' LEU . 12.1 mt -62.83 -16.77 59.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -118.7 -16.0 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 5.6 tmm? -88.82 -18.67 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.737 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.73 -7.19 37.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.549 ' N ' HD13 ' B' ' 597' ' ' LEU . 16.7 mt-10 -93.04 -13.42 28.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.83 125.34 42.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.868 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -48.09 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 0.0 112.345 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -67.35 -18.86 65.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 70.0 m -83.66 -53.59 5.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.612 HD11 ' HE3' ' B' ' 573' ' ' MET . 7.5 tp -51.17 -62.22 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -53.94 -40.41 66.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 16.9 t -60.05 -53.04 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -54.81 -56.33 20.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.591 HG11 ' HG3' ' B' ' 573' ' ' MET . 94.5 t -51.79 -44.44 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.15 -56.99 15.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . 0.442 ' O ' HG23 ' B' ' 613' ' ' VAL . 1.6 mp0 -51.8 -50.1 61.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.681 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -52.86 -59.68 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.588 HG21 ' NE2' ' B' ' 574' ' ' HIS . 97.6 t -49.97 -41.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -62.6 -40.4 96.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.677 HG21 ' HG ' ' A' ' 69' ' ' LEU . 96.0 t -65.58 -37.42 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.585 HD21 ' CE ' ' B' ' 584' ' ' MET . 18.6 mt -50.79 -30.86 15.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -51.71 -30.37 21.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -66.89 -36.9 83.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . 0.48 ' HB2' HG11 ' A' ' 71' ' ' VAL . 73.1 t60 -98.48 -74.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -149.93 137.86 20.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -109.54 77.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.88 28.64 10.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -106.37 42.72 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -120.53 -46.13 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.566 ' HB2' ' HG2' ' B' ' 592' ' ' GLU . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.803 0.335 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -120.35 126.89 51.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.2 p -66.71 -38.78 87.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -51.69 168.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -51.61 159.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.688 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -117.81 -176.07 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -102.36 137.01 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.554 ' HB ' HG12 ' B' ' 613' ' ' VAL . 7.9 p -90.8 -20.85 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -71.06 -12.98 61.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.578 ' HB1' ' OE1' ' B' ' 587' ' ' GLU . . . -56.1 121.82 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -51.65 161.02 0.92 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.555 0.693 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -88.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -172.1 -169.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.582 HG23 ' HD2' ' B' ' 559' ' ' LYS . 97.6 t -109.99 82.43 2.47 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.608 0.718 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.569 ' HG2' HG12 ' A' ' 80' ' ' VAL . 54.8 Cg_endo -69.73 -171.04 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.6 p30 -76.41 67.33 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.569 HG12 ' HG2' ' A' ' 78' ' ' PRO . 12.7 p -168.25 136.1 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -92.75 -51.14 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.036 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -136.64 -169.91 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.3 . . . . 0.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 59.63 73.57 0.65 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.684 0.754 . . . . 0.0 110.924 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 168.28 21.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.82 -175.68 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . 0.44 ' O ' HG22 ' B' ' 546' ' ' THR . 5.8 m -129.12 2.45 5.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . 65.63 13.11 8.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 4.4 t -118.94 -33.43 4.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 2.8 mtm -51.99 -41.85 62.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.99 -30.35 71.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.35 73.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.8 m -96.26 33.65 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -130.2 160.22 66.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 111.061 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.73 167.7 23.64 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -9.72 26.8 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -95.25 -43.32 8.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.37 -25.1 67.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -54.11 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.582 ' HD2' HG23 ' A' ' 77' ' ' VAL . 18.7 pttt -51.87 -30.84 25.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.6 -65.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 49.0 mtm -61.42 -57.46 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.635 HD21 HD12 ' B' ' 593' ' ' LEU . 9.6 tt -51.53 -58.41 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -57.01 -37.12 77.33 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.95 -41.02 95.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -76.53 -33.56 58.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.3 mp -75.97 -26.18 56.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -48.87 -57.96 9.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 0.0 110.842 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.3 Cg_endo -69.77 -42.44 3.39 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.73 2.286 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.58 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.5 OUTLIER -51.87 -35.38 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.759 HD12 ' HB ' ' B' ' 582' ' ' THR . 95.9 mt -75.72 -33.22 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.99 -20.21 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -54.09 -32.18 54.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.709 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.1 OUTLIER -118.96 -30.83 4.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.718 ' CE1' HG11 ' B' ' 611' ' ' VAL . 21.7 m-70 -135.16 75.47 59.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -7.89 22.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.661 HG21 ' HE3' ' B' ' 620' ' ' LYS . 1.2 p -99.81 -50.15 4.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.471 ' HG ' HG13 ' B' ' 611' ' ' VAL . 2.8 mm? -91.82 15.14 13.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.08 -55.23 29.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.63 -50.09 37.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . 0.52 ' HB2' HD11 ' B' ' 614' ' ' LEU . 31.7 mmmt -63.33 -47.72 81.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.624 HD11 HG22 ' B' ' 611' ' ' VAL . 24.2 mt -57.56 -61.09 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.759 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.7 t -54.09 -34.71 60.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.14 -59.86 9.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.433 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.68 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 39.9 mtm -65.1 -42.99 93.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.576 HD22 HG22 ' B' ' 581' ' ' ILE . 9.9 mp -61.85 -27.38 68.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.59 ' HA ' HD11 ' B' ' 593' ' ' LEU . 6.1 tt -83.3 -21.44 33.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.578 ' OE1' ' HB1' ' A' ' 73' ' ' ALA . 7.9 tt0 -77.12 -54.94 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.4 OUTLIER -33.69 -61.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.78 109.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.563 ' OD1' HD22 ' B' ' 562' ' ' LEU . 71.8 m-20 -52.12 -43.85 64.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.5 -39.34 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.566 ' HG2' ' HB2' ' A' ' 64' ' ' ALA . 18.9 tp10 -65.61 -34.85 79.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.635 HD12 HD21 ' B' ' 562' ' ' LEU . 1.7 mt -71.09 -39.53 72.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.08 -16.74 47.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -116.48 -12.74 10.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -82.77 -29.39 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.719 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.63 -5.99 28.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.55 ' N ' HD13 ' B' ' 597' ' ' LEU . 21.8 mt-10 -83.88 2.39 38.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 1.5 t -140.65 132.46 14.13 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.67 0.748 . . . . 0.0 110.839 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -48.39 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.06 -21.72 59.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 50.1 m -86.25 -53.26 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.461 ' C ' HD13 ' B' ' 603' ' ' LEU . 2.4 tm? -52.62 -57.76 8.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -59.54 -35.75 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -51.57 69.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -62.95 -51.59 66.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.709 HG11 ' HG3' ' B' ' 573' ' ' MET . 94.1 t -52.28 -52.91 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.97 -51.6 68.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . 0.421 ' O ' HG23 ' B' ' 613' ' ' VAL . 15.2 mm-40 -55.42 -52.29 64.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.68 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.83 -59.92 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.718 HG11 ' CE1' ' B' ' 574' ' ' HIS . 40.7 t -50.83 -41.97 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.11 94.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.688 HG21 ' HG ' ' A' ' 69' ' ' LEU . 84.1 t -63.7 -39.26 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.52 HD11 ' HB2' ' B' ' 580' ' ' LYS . 45.8 mt -51.1 -35.44 35.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -52.67 -30.76 33.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -62.42 -32.31 73.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -103.39 -68.39 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -144.51 123.78 13.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -53.49 -72.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . 0.661 ' HE3' HG21 ' B' ' 576' ' ' THR . 34.9 tttt -112.65 -22.77 10.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -83.62 55.74 3.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -101.7 88.06 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.811 0.338 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -145.42 -176.47 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.9 t -116.14 -43.16 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -60.7 -175.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -53.96 173.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.692 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.5 pp -127.69 -176.34 3.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -103.53 135.54 44.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.562 ' HB ' HG12 ' B' ' 613' ' ' VAL . 10.7 p -87.06 -18.43 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -70.1 -20.41 63.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.56 123.98 11.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -52.02 160.43 1.18 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -89.02 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.361 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CB ' HD13 ' B' ' 586' ' ' LEU . 10.6 p90 -172.06 -168.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.515 HG23 ' CE ' ' B' ' 559' ' ' LYS . 84.3 t -94.54 107.91 33.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.655 0.74 . . . . 0.0 111.158 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 77' ' ' VAL . 53.6 Cg_endo -69.7 -170.41 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -91.89 45.85 1.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.3 m -146.15 153.96 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -88.97 -34.31 16.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.6 -177.31 4.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 110.919 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 59.85 72.46 0.77 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.739 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 168.24 22.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.415 HD12 ' HE2' ' B' ' 549' ' ' MET . 22.5 tp -96.44 149.64 21.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 10.2 t -165.78 160.5 17.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.37 66.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 1.8 t -52.21 -49.17 64.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . 0.415 ' HE2' HD12 ' B' ' 545' ' ' LEU . 6.4 mtm -57.34 -35.45 69.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . . . . . . . . . 7.7 mp -96.06 26.48 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -109.3 -25.23 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 6.2 t -125.97 31.36 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -129.46 160.36 64.71 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.731 . . . . 0.0 111.1 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.4 Cg_endo -69.79 169.28 19.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . 0.4 ' HG2' ' HB2' ' B' ' 554' ' ' PRO . 8.2 pt20 -95.27 -42.17 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.31 -16.86 63.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.51 -70.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.645 ' HB2' HD21 ' B' ' 586' ' ' LEU . 0.8 OUTLIER -55.31 -29.77 58.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.52 -65.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 57.3 mtm -60.09 -52.94 63.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.659 HD21 HD12 ' B' ' 593' ' ' LEU . 9.4 tt -51.42 -60.27 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.93 -31.62 72.8 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.432 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -67.21 -43.35 82.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -76.77 -33.87 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.82 -26.61 57.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.526 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -48.51 -58.0 9.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.672 0.749 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.6 Cg_endo -69.76 -41.86 3.9 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.606 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.7 OUTLIER -51.41 -36.11 42.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.724 HD12 ' HB ' ' B' ' 582' ' ' THR . 96.4 mt -75.52 -33.78 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.1 -21.36 31.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.979 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -50.87 -31.86 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.761 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -120.29 -36.07 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.793 ' CE1' HG21 ' B' ' 611' ' ' VAL . 6.9 m80 -128.41 75.44 79.24 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -7.77 21.93 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.373 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.441 HG21 ' HE3' ' B' ' 620' ' ' LYS . 1.3 p -99.93 -50.08 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.458 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -91.11 13.05 18.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -52.62 -54.09 37.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.86 -50.14 39.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . 0.562 ' HB2' HD11 ' B' ' 614' ' ' LEU . 10.5 mmmm -63.48 -47.29 82.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.725 0.297 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.535 HG22 HD13 ' B' ' 570' ' ' ILE . 16.3 mt -56.91 -60.29 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.724 ' HB ' HD12 ' B' ' 570' ' ' ILE . 10.8 t -56.87 -34.12 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.97 -59.62 9.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.656 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 41.6 mtm -62.27 -46.37 89.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.826 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.558 HD21 ' HB3' ' B' ' 606' ' ' LYS . 7.6 mp -59.49 -29.34 67.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.645 HD21 ' HB2' ' B' ' 559' ' ' LYS . 8.7 tt -81.44 -20.88 39.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' B' ' 588' ' ' ILE . 4.2 tm-20 -77.86 -56.86 4.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.3 OUTLIER -33.62 -62.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.14 113.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.527 ' HB3' HD13 ' B' ' 562' ' ' LEU . 99.4 m-20 -53.17 -46.16 68.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.11 -45.12 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -60.54 -40.43 91.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.659 HD12 HD21 ' B' ' 562' ' ' LEU . 3.2 mt -63.3 -37.96 89.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.39 -15.15 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -110.39 -17.25 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 29.4 mtm -91.84 -34.51 14.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.82 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -64.69 -12.51 47.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.82 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.5 pt-20 -94.16 30.76 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.31 137.79 9.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 110.91 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -48.96 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.747 2.298 . . . . 0.0 112.339 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -64.19 -15.82 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 71.2 m -90.42 -48.97 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.481 ' C ' HD13 ' B' ' 603' ' ' LEU . 3.2 tm? -53.49 -63.94 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -54.65 -43.86 72.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 3.5 t -53.16 -52.91 57.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . 0.558 ' HB3' HD21 ' B' ' 585' ' ' LEU . 30.8 mmmt -59.29 -57.58 12.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.761 HG11 ' HG3' ' B' ' 573' ' ' MET . 92.4 t -50.05 -53.24 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -56.3 -53.63 54.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . 0.424 ' O ' HG23 ' B' ' 613' ' ' VAL . 14.3 tt0 -52.39 -53.23 47.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.656 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -52.02 -60.28 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.793 HG21 ' CE1' ' B' ' 574' ' ' HIS . 38.0 t -50.78 -37.16 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.29 93.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.692 HG21 ' HG ' ' A' ' 69' ' ' LEU . 89.2 t -65.15 -41.31 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' B' ' 580' ' ' LYS . 35.9 mt -51.24 -31.09 19.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -52.31 -29.55 23.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -67.96 -35.81 79.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -99.43 -74.9 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -145.01 119.11 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -97.89 50.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . 0.441 ' HE3' HG21 ' B' ' 576' ' ' THR . 2.6 tmtt? 52.05 51.09 17.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -120.68 83.14 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -136.11 122.39 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.822 0.344 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -149.6 135.52 18.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.2 p -125.55 35.98 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.75 -74.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -163.14 148.46 11.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.685 ' HG ' HG21 ' B' ' 613' ' ' VAL . 4.2 pp -110.49 -174.74 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -111.07 135.69 51.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.551 HG11 ' HB2' ' B' ' 617' ' ' HIS . 10.8 p -81.7 -10.32 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -70.01 -19.26 63.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.83 125.87 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -51.04 157.24 1.49 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.592 0.71 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -89.56 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.572 ' HB3' HD22 ' B' ' 586' ' ' LEU . 7.0 p90 -172.43 -170.24 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.0 t -109.88 83.17 2.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 177.53 5.51 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.635 2.223 . . . . 0.0 112.388 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -125.34 30.68 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.2 t -104.59 82.24 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -59.08 -47.59 84.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -95.93 151.32 19.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 54.91 71.03 1.4 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.664 0.745 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 152.62 69.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.661 HD22 ' HD2' ' B' ' 565' ' ' ARG . 17.4 tp -68.64 163.93 22.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 1.3 m -159.98 149.69 18.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . . . . . . . . . . . -51.99 -29.6 21.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 30.9 t -53.43 -38.51 63.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -52.65 -52.55 55.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.661 HD21 ' HB2' ' B' ' 562' ' ' LEU . 8.5 mp -95.45 31.22 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -102.2 -48.93 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 26.6 m -105.34 32.67 4.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -124.3 160.42 52.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.584 0.707 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.76 167.71 23.65 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.742 2.295 . . . . 0.0 112.338 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -9.8 27.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -95.71 -41.99 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . 0.404 ' HG2' ' HE1' ' B' ' 561' ' ' MET . 1.1 tp10 -67.0 -19.73 65.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.475 ' HB3' HD23 ' B' ' 550' ' ' LEU . 4.6 mt-30 -58.5 -66.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.422 ' HB2' HD11 ' B' ' 586' ' ' LEU . 16.7 ptpt -53.14 -31.06 40.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -64.39 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . 0.404 ' HE1' ' HG2' ' B' ' 557' ' ' GLU . 45.8 mtm -61.7 -54.22 45.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.724 HD21 HD12 ' B' ' 593' ' ' LEU . 9.8 tt -53.57 -56.29 18.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.45 -44.7 96.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.66 -38.14 86.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.661 ' HD2' HD22 ' B' ' 545' ' ' LEU . 2.6 tmt_? -76.44 -32.84 58.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -25.66 55.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.534 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.63 -57.98 10.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.722 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.7 Cg_endo -69.78 -45.26 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.543 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.4 OUTLIER -51.61 -34.2 36.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.692 HD12 ' HB ' ' B' ' 582' ' ' THR . 88.4 mt -76.58 -31.88 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . 0.487 ' HG2' ' HB2' ' B' ' 578' ' ' ALA . 30.6 mt-30 -59.44 -19.53 48.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -51.75 -27.82 13.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.763 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -125.48 -37.03 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.609 ' CE1' HG21 ' B' ' 611' ' ' VAL . 22.7 m80 -128.34 75.56 78.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 110.828 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -7.81 22.02 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.712 2.274 . . . . 0.0 112.33 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.3 p -100.62 -46.15 5.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.464 HD23 ' HD2' ' B' ' 574' ' ' HIS . 2.8 mm? -92.93 15.27 15.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' B' ' 571' ' ' GLN . . . -54.08 -55.86 23.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.03 -50.91 31.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . 0.608 ' HD3' HD13 ' B' ' 614' ' ' LEU . 16.8 mttp -62.5 -49.14 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.519 HG22 HD22 ' B' ' 585' ' ' LEU . 23.7 mt -55.85 -60.26 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.692 ' HB ' HD12 ' B' ' 570' ' ' ILE . 9.3 t -56.63 -32.63 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -61.46 -60.4 8.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.66 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 36.4 mtm -63.37 -45.39 91.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.532 ' O ' HD11 ' B' ' 593' ' ' LEU . 7.7 mp -59.02 -31.46 68.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.572 HD22 ' HB3' ' A' ' 76' ' ' PHE . 6.5 tt -80.38 -19.86 45.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' B' ' 588' ' ' ILE . 20.3 tp10 -77.06 -58.4 3.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.452 HG13 ' O ' ' B' ' 585' ' ' LEU . 0.3 OUTLIER -34.51 -62.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.15 112.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.647 ' HB3' HD13 ' B' ' 562' ' ' LEU . 79.9 m-20 -52.54 -46.46 66.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -43.31 61.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -61.78 -37.87 85.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.724 HD12 HD21 ' B' ' 562' ' ' LEU . 3.0 mt -66.04 -40.51 91.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.74 -16.82 59.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -107.07 -20.33 13.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 22.7 mtm -84.77 -41.97 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.873 HD13 ' N ' ' B' ' 598' ' ' GLU . 0.0 OUTLIER -63.02 -14.24 45.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.873 ' N ' HD13 ' B' ' 597' ' ' LEU . 10.0 pt-20 -68.15 -16.42 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.02 144.12 46.17 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -48.74 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.312 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -58.14 -23.88 56.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 26.7 t -84.51 -49.63 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.476 HD13 ' N ' ' B' ' 604' ' ' ARG . 2.3 tm? -51.87 -63.93 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.476 ' N ' HD13 ' B' ' 603' ' ' LEU . 5.6 ptm180 -54.25 -44.04 71.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 12.8 t -51.26 -51.38 54.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -61.16 -54.2 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.763 HG11 ' HG3' ' B' ' 573' ' ' MET . 99.2 t -51.18 -48.8 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -58.2 -52.83 63.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . 0.431 ' O ' HG23 ' B' ' 613' ' ' VAL . 29.1 mm-40 -53.37 -53.79 45.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.66 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.44 -60.57 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.609 HG21 ' CE1' ' B' ' 574' ' ' HIS . 58.5 t -50.11 -42.46 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.16 88.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.685 HG21 ' HG ' ' A' ' 69' ' ' LEU . 97.3 t -65.65 -39.18 84.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.608 HD13 ' HD3' ' B' ' 580' ' ' LYS . 15.8 mt -51.48 -29.52 16.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -51.54 -29.71 17.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -69.75 -37.32 76.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . 0.551 ' HB2' HG11 ' A' ' 71' ' ' VAL . 3.7 t-160 -82.73 -36.38 25.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 58.48 55.74 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -84.19 -70.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -78.08 -25.7 47.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -83.22 55.91 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -105.8 94.43 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.824 0.345 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -121.46 -168.37 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.1 t -110.96 -23.84 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -101.33 -71.54 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.56 160.54 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.661 ' HG ' HG21 ' B' ' 613' ' ' VAL . 4.1 pp -106.09 172.06 7.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -106.5 137.16 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.435 ' O ' HG22 ' A' ' 71' ' ' VAL . 7.2 p -78.11 -3.34 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -69.67 -19.88 63.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.452 ' HB1' ' CG ' ' B' ' 587' ' ' GLU . . . -57.9 121.06 9.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.08 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -52.13 159.92 1.36 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -89.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -172.06 -168.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.474 HG23 ' CD ' ' B' ' 559' ' ' LYS . 85.8 t -109.97 82.47 2.48 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.643 0.735 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -178.55 2.39 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.372 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -115.33 27.67 9.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.68 -26.57 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -166.64 109.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -174.13 164.25 4.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.905 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 52.06 68.31 3.29 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.628 0.728 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.88 23.17 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.727 2.284 . . . . 0.0 112.329 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.636 HD13 ' N ' ' B' ' 546' ' ' THR . 0.4 OUTLIER -118.66 133.82 55.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . 0.636 ' N ' HD13 ' B' ' 545' ' ' LEU . 0.2 OUTLIER -159.78 168.57 25.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . 0.431 ' H ' HG22 ' B' ' 546' ' ' THR . . . -53.5 -28.15 29.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 25.4 p -59.83 -40.0 87.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 40.2 mmm -54.39 -37.53 65.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.673 HD22 HD11 ' B' ' 594' ' ' LEU . 9.0 mp -95.94 25.7 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -104.27 -39.11 6.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 76.9 p -108.95 27.88 9.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -125.94 160.23 57.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.541 0.686 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.9 Cg_endo -69.77 168.06 22.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.66 24.18 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.749 2.3 . . . . 0.0 112.341 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -97.18 -40.51 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -66.1 -21.09 66.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -57.52 -64.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.537 ' CA ' HD11 ' B' ' 586' ' ' LEU . 15.9 ptpt -51.61 -34.18 36.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -62.21 -71.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 37.3 mtm -58.0 -56.02 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.685 HD21 HD12 ' B' ' 593' ' ' LEU . 9.3 tt -50.56 -60.39 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -56.67 -39.58 86.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -58.45 -47.73 83.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -74.74 -25.74 59.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -26.77 57.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.95 -57.95 10.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 110.933 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.77 -38.22 8.08 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.636 2.224 . . . . 0.0 112.362 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.614 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.8 OUTLIER -54.59 -38.37 66.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.55 HD13 HG22 ' B' ' 581' ' ' ILE . 67.6 mt -75.35 -33.69 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -58.93 -19.83 46.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -53.57 -28.12 30.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.527 ' HG3' HG11 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -124.55 -38.31 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.594 ' CD2' HG21 ' B' ' 611' ' ' VAL . 17.1 m80 -125.27 73.3 66.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 110.826 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -7.49 21.22 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.619 2.212 . . . . 0.0 112.347 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 4.3 p -92.61 -58.01 2.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.462 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -92.19 15.1 14.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.9 -33.99 18.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.11 -72.02 0.74 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . 0.723 ' HD3' HD22 ' B' ' 614' ' ' LEU . 1.2 tttp -48.7 -41.63 32.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.712 0.292 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.55 HG22 HD13 ' B' ' 570' ' ' ILE . 49.2 mt -55.41 -59.4 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -31.24 65.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -63.37 -57.94 13.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.716 ' HE1' ' HB1' ' B' ' 610' ' ' ALA . 35.2 mtm -65.89 -42.5 90.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.432 HD22 HG22 ' B' ' 581' ' ' ILE . 8.2 mp -61.57 -30.35 70.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.639 ' HA ' HD11 ' B' ' 593' ' ' LEU . 7.7 tt -83.9 -19.18 35.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' B' ' 588' ' ' ILE . 0.9 OUTLIER -77.01 -55.2 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.463 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.5 OUTLIER -33.05 -61.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.47 109.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.671 ' HB3' HD13 ' B' ' 562' ' ' LEU . 2.8 m120 -52.22 -45.54 65.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -36.86 63.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -67.6 -33.91 75.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.685 HD12 HD21 ' B' ' 562' ' ' LEU . 1.6 mt -73.19 -34.8 66.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.673 HD11 HD22 ' B' ' 550' ' ' LEU . 41.7 mt -64.33 -15.7 60.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -118.31 -15.29 9.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -89.44 -20.84 23.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.746 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -68.22 -7.99 35.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.552 ' N ' HD13 ' B' ' 597' ' ' LEU . 12.4 mt-10 -92.03 -14.37 29.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.81 121.05 55.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.699 0.761 . . . . 0.0 110.862 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -64.79 -22.44 66.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 72.5 m -82.75 -49.33 9.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.481 ' C ' HD13 ' B' ' 603' ' ' LEU . 2.8 tm? -50.71 -56.5 11.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -55.66 -37.81 68.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 31.1 t -64.66 -45.36 87.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -59.71 -57.57 12.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.527 HG11 ' HG3' ' B' ' 573' ' ' MET . 64.5 t -54.2 -50.64 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -55.71 -53.91 50.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.81 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -51.94 -52.93 46.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.716 ' HB1' ' HE1' ' B' ' 584' ' ' MET . . . -51.66 -60.51 3.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.594 HG21 ' CD2' ' B' ' 574' ' ' HIS . 57.5 t -50.6 -36.86 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.42 93.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.661 HG21 ' HG ' ' A' ' 69' ' ' LEU . 84.0 t -64.21 -40.56 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.723 HD22 ' HD3' ' B' ' 580' ' ' LYS . 8.3 mt -51.51 -30.43 20.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -51.82 -30.22 22.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -66.45 -36.71 83.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -99.62 -74.81 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -159.8 144.13 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -141.14 72.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm 52.87 29.3 7.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -109.09 57.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -119.58 112.12 18.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.058 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 179.891 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.859 0.361 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -137.13 134.32 36.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -76.01 -31.12 58.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -55.4 175.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -52.07 165.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.713 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.6 pp -131.1 -175.43 3.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -108.56 137.27 46.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.616 ' HB ' HG12 ' B' ' 613' ' ' VAL . 10.3 p -86.94 -16.23 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.9 -17.13 63.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HB1' ' CD ' ' B' ' 587' ' ' GLU . . . -56.23 123.32 14.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -51.28 159.39 1.12 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.701 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -89.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.312 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.648 ' HB3' HD22 ' B' ' 586' ' ' LEU . 8.2 p90 -172.1 -169.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.8 t -109.97 82.46 2.47 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -178.87 2.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -126.95 34.82 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.35 157.26 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.9 t60 -87.83 -53.03 4.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 39.43 41.63 0.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -123.94 68.78 45.93 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.636 0.731 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -171.25 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.697 2.264 . . . . 0.0 112.329 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.495 ' C ' HD13 ' B' ' 545' ' ' LEU . 3.3 tm? -52.56 129.87 30.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . 0.495 ' N ' HD13 ' B' ' 545' ' ' LEU . 1.3 m -154.18 164.06 39.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . 0.621 ' HA ' HD13 ' B' ' 594' ' ' LEU . . . -65.81 -27.55 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -36.3 82.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.44 -37.71 57.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.955 HD12 HD11 ' B' ' 594' ' ' LEU . 4.2 mt -101.3 36.26 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -89.39 -68.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 12.0 p -94.69 41.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -127.67 159.96 63.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.564 0.697 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.7 Cg_endo -69.78 168.38 21.75 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.665 2.244 . . . . 0.0 112.309 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . 0.421 ' HA ' ' HG3' ' B' ' 558' ' ' GLN . 53.9 Cg_endo -69.79 -7.41 21.01 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.668 2.246 . . . . 0.0 112.356 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -92.61 -52.78 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . 0.416 ' HB3' ' HE1' ' B' ' 561' ' ' MET . 1.6 tt0 -58.68 -24.36 61.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.701 ' HA ' HD22 ' B' ' 550' ' ' LEU . 4.2 mt-30 -51.79 -62.52 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . 0.548 ' HB2' HD11 ' B' ' 586' ' ' LEU . 34.7 pttt -64.3 -25.11 67.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -68.3 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . 0.416 ' HE1' ' HB3' ' B' ' 557' ' ' GLU . 45.3 mtm -60.96 -44.97 96.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.823 HD13 ' HB2' ' B' ' 590' ' ' ASN . 9.7 tt -62.4 -57.23 12.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -59.53 -38.68 93.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.49 -39.47 91.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 23.0 mtt-85 -76.84 -34.71 57.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.9 -25.7 56.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.527 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 1.9 t80 -49.04 -58.25 9.19 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.65 0.738 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.0 Cg_endo -69.72 -42.52 3.37 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.609 ' O ' HD13 ' B' ' 569' ' ' LEU . 0.8 OUTLIER -51.14 -36.5 41.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . 0.769 HD12 ' HB ' ' B' ' 582' ' ' THR . 96.5 mt -75.43 -34.35 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -57.39 -21.52 36.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -52.7 -31.22 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.742 ' HE3' HG21 ' B' ' 607' ' ' VAL . 0.0 OUTLIER -118.55 -38.55 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.716 ' CE1' HG11 ' B' ' 611' ' ' VAL . 21.8 m-70 -127.07 74.59 76.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.704 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -7.79 21.95 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.01 -42.39 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.455 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -100.37 15.03 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -54.38 -53.52 52.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -50.39 -50.74 34.28 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . 0.519 ' HB2' HD11 ' B' ' 614' ' ' LEU . 30.6 mmmt -63.38 -49.04 75.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.606 HD11 HG22 ' B' ' 611' ' ' VAL . 20.3 mt -55.4 -60.6 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . 0.769 ' HB ' HD12 ' B' ' 570' ' ' ILE . 7.8 t -56.21 -33.6 65.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -60.45 -60.24 8.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.673 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 34.8 mtm -64.79 -44.91 88.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.545 ' O ' HD11 ' B' ' 593' ' ' LEU . 9.8 mp -58.82 -30.25 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 76' ' ' PHE . 2.9 tt -82.8 -19.15 38.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tt0 -76.07 -56.34 4.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.98 -60.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.84 103.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.823 ' HB2' HD13 ' B' ' 562' ' ' LEU . 2.6 p-10 -51.03 -42.87 60.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.91 -39.47 68.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -66.27 -33.75 76.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.772 HD12 HD21 ' B' ' 562' ' ' LEU . 2.4 mt -72.33 -34.67 68.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.955 HD11 HD12 ' B' ' 550' ' ' LEU . 54.6 mt -61.22 -17.5 53.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -118.73 -15.2 9.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.12 -19.78 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.736 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -68.87 -7.8 37.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.517 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.1 mt-10 -85.95 -15.55 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 37.7 t -100.17 121.22 54.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.656 0.741 . . . . 0.0 110.874 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.83 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.722 2.282 . . . . 0.0 112.319 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.45 -19.6 65.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 20.0 m -86.27 -49.29 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.836 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.483 HD13 ' N ' ' B' ' 604' ' ' ARG . 2.1 tm? -51.23 -62.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . 0.483 ' N ' HD13 ' B' ' 603' ' ' LEU . 15.8 mmm180 -57.53 -36.09 71.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 2.4 t -62.03 -48.23 81.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -62.2 -53.78 50.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.742 HG21 ' HE3' ' B' ' 573' ' ' MET . 93.3 t -51.09 -51.83 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -57.28 -51.1 70.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . 0.453 ' O ' HG23 ' B' ' 613' ' ' VAL . 57.5 mm-40 -55.73 -51.63 66.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.673 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -52.45 -59.83 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.716 HG11 ' CE1' ' B' ' 574' ' ' HIS . 39.6 t -50.6 -42.6 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.85 95.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.713 HG21 ' HG ' ' A' ' 69' ' ' LEU . 95.3 t -63.91 -38.19 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' B' ' 580' ' ' LYS . 29.7 mt -50.27 -32.08 15.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -53.34 -37.71 62.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -57.24 -30.95 65.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . 0.454 ' HB2' HG11 ' A' ' 71' ' ' VAL . 42.9 t-80 -102.01 -73.68 0.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -156.01 139.7 16.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -103.36 62.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 18.5 tptp 53.01 31.65 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 53.93 53.45 11.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -118.58 -50.62 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.044 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.578 ' HB2' ' OE1' ' B' ' 592' ' ' GLU . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.845 0.355 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -121.96 116.82 25.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.1 t -69.98 -24.89 63.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -57.76 -178.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -51.48 140.57 17.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.664 ' HG ' HG21 ' B' ' 613' ' ' VAL . 2.6 pp -121.94 168.2 12.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -89.73 137.45 32.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.8 p -93.79 -13.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -70.07 -11.01 60.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.8 119.33 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 155.86 2.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.647 ' O ' HD22 ' B' ' 586' ' ' LEU . 53.9 Cg_endo -69.79 -89.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -172.12 -169.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.1 t -109.88 82.54 2.45 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.631 0.729 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -170.72 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.227 . . . . 0.0 112.371 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -118.31 28.33 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.4 t -92.7 -53.63 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -121.38 45.69 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -127.18 165.35 19.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.938 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 52.19 68.72 2.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 172.44 12.63 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.453 HD12 ' H ' ' B' ' 546' ' ' THR . 46.4 tp -72.42 144.12 48.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . 0.453 ' H ' HD12 ' B' ' 545' ' ' LEU . 9.0 t -139.65 167.59 21.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' B' ' 551' ' ' ALA . . . -58.33 -25.28 61.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . 0.419 ' HB2' HG23 ' B' ' 546' ' ' THR . 31.6 m -52.02 -44.22 64.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -57.59 -51.0 71.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.616 ' HB2' HD11 ' B' ' 594' ' ' LEU . 8.4 mp -95.2 30.76 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' B' ' 547' ' ' ALA . . . -101.2 -50.19 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.081 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 6.2 p -105.59 30.36 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.583 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -120.99 160.6 44.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.728 . . . . 0.0 111.082 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.583 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.7 Cg_endo -69.76 167.7 23.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.367 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.85 24.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -94.26 -51.49 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -57.47 -23.67 51.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.428 ' HB3' HD23 ' B' ' 550' ' ' LEU . 4.3 mt-30 -52.03 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -34.9 70.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -62.95 -67.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 49.6 mtm -57.71 -59.02 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.625 HD22 ' OD1' ' B' ' 590' ' ' ASN . 10.6 tt -51.62 -59.99 3.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.33 -45.6 65.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.23 -44.43 83.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -73.26 -27.9 61.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 2.6 mp -75.9 -27.02 57.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.2 -58.06 9.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.855 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 54.2 Cg_endo -69.73 -38.8 7.37 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.373 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.619 ' O ' HD13 ' B' ' 569' ' ' LEU . 1.2 tm? -52.96 -39.9 63.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 17.1 mt -75.28 -32.44 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.89 -19.34 50.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.55 68.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.709 ' HE3' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -120.73 -24.68 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.713 ' CE1' HG21 ' B' ' 611' ' ' VAL . 5.9 m-70 -142.29 73.57 21.26 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.702 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.16 20.36 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.661 2.24 . . . . 0.0 112.321 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.466 HG21 ' HD2' ' B' ' 620' ' ' LYS . 3.2 p -93.27 -60.53 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.456 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.8 mm? -90.11 13.87 13.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' B' ' 574' ' ' HIS . . . -49.39 -32.59 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -63.67 -73.98 0.49 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . 0.628 ' HD3' HD22 ' B' ' 614' ' ' LEU . 34.7 mttp -48.02 -41.32 25.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.631 HD11 HG22 ' B' ' 611' ' ' VAL . 53.7 mt -55.61 -60.17 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -31.59 63.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . . . . . . . . . . . -62.87 -59.95 8.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.682 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 33.0 mtm -64.57 -43.34 94.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.595 HD22 HG22 ' B' ' 581' ' ' ILE . 7.4 mp -60.37 -29.99 69.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 75' ' ' PRO . 2.7 tt -83.68 -18.99 36.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' B' ' 588' ' ' ILE . 3.8 tm-20 -76.87 -55.21 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.464 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.8 OUTLIER -33.01 -60.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.19 105.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.625 ' OD1' HD22 ' B' ' 562' ' ' LEU . 61.5 m-20 -51.69 -45.09 63.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.55 -38.34 63.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.578 ' OE1' ' HB2' ' A' ' 64' ' ' ALA . 8.4 tt0 -67.17 -33.83 76.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.55 HD11 ' HA ' ' B' ' 586' ' ' LEU . 2.1 mt -72.22 -34.84 68.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' B' ' 550' ' ' LEU . 10.1 mt -61.66 -17.42 55.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -118.5 -15.04 9.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -89.36 -18.32 27.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.733 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.84 -7.03 36.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.545 ' N ' HD13 ' B' ' 597' ' ' LEU . 2.7 mt-10 -90.28 -15.04 32.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 36.8 t -98.16 121.9 55.8 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -41.3 4.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.86 -18.54 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 1.4 t -85.13 -51.35 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.709 HD11 ' HE3' ' B' ' 573' ' ' MET . 6.6 tp -51.44 -63.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -54.94 -37.96 67.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 14.2 t -60.62 -51.94 67.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -57.4 -55.21 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.691 HG11 ' HG3' ' B' ' 573' ' ' MET . 92.0 t -51.83 -44.78 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -59.34 -56.9 16.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . 0.404 ' O ' HG23 ' B' ' 613' ' ' VAL . 54.1 mm-40 -52.6 -51.25 60.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.682 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.42 -60.17 3.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.713 HG21 ' CE1' ' B' ' 574' ' ' HIS . 86.6 t -50.52 -42.23 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.31 89.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.664 HG21 ' HG ' ' A' ' 69' ' ' LEU . 92.2 t -65.43 -40.58 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.628 HD22 ' HD3' ' B' ' 580' ' ' LYS . 11.5 mt -51.65 -29.45 17.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -51.81 -29.95 21.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -70.01 -42.27 73.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -89.53 -75.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -137.25 133.02 34.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -103.76 76.2 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . 0.466 ' HD2' HG21 ' B' ' 576' ' ' THR . 20.5 ttpt 61.38 32.06 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -62.73 -29.25 70.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -99.47 109.13 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.647 ' HB2' ' CD ' ' B' ' 592' ' ' GLU . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.833 0.349 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -115.49 116.95 29.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.1 m -94.23 -14.11 25.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -61.29 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -168.4 145.49 3.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.621 ' HG ' HG21 ' B' ' 613' ' ' VAL . 3.3 pp -126.85 -175.76 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 73' ' ' ALA . 14.8 p-10 -109.24 138.78 45.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.552 ' HB ' HG12 ' B' ' 613' ' ' VAL . 9.0 p -85.05 -17.38 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -69.89 -18.81 63.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.427 ' HB2' ' ND2' ' A' ' 70' ' ' ASN . . . -51.43 124.17 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.047 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -51.61 160.72 0.97 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.433 ' HA ' ' HA3' ' B' ' 583' ' ' GLY . 53.4 Cg_endo -69.82 -89.27 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.636 2.224 . . . . 0.0 112.318 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.582 ' HB3' HD22 ' B' ' 586' ' ' LEU . 9.3 p90 -171.98 -168.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.7 t -109.55 83.62 2.71 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.561 0.696 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 178.16 4.84 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -97.49 72.63 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.44 HG22 ' H ' ' A' ' 82' ' ' ALA . 12.6 p -149.54 135.32 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -52.08 -43.03 63.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.44 ' H ' HG22 ' A' ' 80' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 541' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 542' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 39.27 42.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 543' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -137.96 72.79 47.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.641 0.734 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 544' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 156.18 64.22 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 545' ' ' LEU . . . . . 0.569 HD12 ' HG3' ' B' ' 549' ' ' MET . 14.6 tp -79.62 138.9 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 546' ' ' THR . . . . . . . . . . . . . 19.7 p -145.17 179.76 7.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 547' ' ' ALA . . . . . 0.753 ' HA ' HD13 ' B' ' 594' ' ' LEU . . . -64.77 -28.42 69.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 548' ' ' SER . . . . . . . . . . . . . 4.8 p -65.07 -28.21 69.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 549' ' ' MET . . . . . 0.569 ' HG3' HD12 ' B' ' 545' ' ' LEU . 4.5 mmt -60.64 -49.2 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 550' ' ' LEU . . . . . 0.95 HD12 HD11 ' B' ' 594' ' ' LEU . 4.7 mt -86.32 -21.54 27.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 551' ' ' ALA . . . . . . . . . . . . . . . -51.5 -51.47 54.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 552' ' ' SER . . . . . . . . . . . . . 8.0 t -93.71 41.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' B' ' 554' ' ' PRO . . . -146.18 160.74 41.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 0.0 111.092 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 554' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' B' ' 553' ' ' ALA . 53.4 Cg_endo -69.8 168.69 20.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 555' ' ' PRO . . . . . 0.414 ' HA ' ' HG3' ' B' ' 558' ' ' GLN . 53.9 Cg_endo -69.75 -7.55 21.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.716 2.278 . . . . 0.0 112.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 556' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.09 -47.7 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 557' ' ' GLU . . . . . 0.405 ' HB3' ' HE1' ' B' ' 561' ' ' MET . 0.3 OUTLIER -62.04 -23.77 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 558' ' ' GLN . . . . . 0.463 ' HA ' HD22 ' B' ' 550' ' ' LEU . 4.2 mt-30 -53.18 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 559' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -50.92 -32.54 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 560' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -64.44 -71.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . 0.405 ' HE1' ' HB3' ' B' ' 557' ' ' GLU . 46.4 mtm -54.19 -55.68 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.752 HD13 ' HB3' ' B' ' 590' ' ' ASN . 8.1 tt -51.16 -60.17 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 563' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.47 67.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 564' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -57.01 -47.68 80.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 565' ' ' ARG . . . . . 0.504 ' HG3' HD13 ' B' ' 545' ' ' LEU . 1.2 mmp_? -71.13 -26.79 63.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . . . . . . . . . 1.3 mp -75.73 -27.28 58.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 567' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' B' ' 568' ' ' PRO . 0.1 OUTLIER -49.17 -58.25 9.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.672 0.748 . . . . 0.0 110.833 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 568' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' B' ' 567' ' ' PHE . 53.9 Cg_endo -69.68 -38.02 8.54 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 569' ' ' LEU . . . . . 0.562 ' O ' HD13 ' B' ' 569' ' ' LEU . 1.0 OUTLIER -51.91 -42.68 62.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 570' ' ' ILE . . . . . . . . . . . . . 8.7 mt -75.52 -33.67 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 571' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -57.84 -20.14 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 572' ' ' ALA . . . . . . . . . . . . . . . -55.06 -25.82 33.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 573' ' ' MET . . . . . 0.455 ' HE3' HD11 ' B' ' 603' ' ' LEU . 0.0 OUTLIER -126.78 -41.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 574' ' ' HIS . . . . . 0.667 ' CE1' HG11 ' B' ' 611' ' ' VAL . 22.4 m-70 -122.29 74.61 41.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.553 0.692 . . . . 0.0 110.833 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 575' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -7.25 20.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.361 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 576' ' ' THR . . . . . 0.4 ' OG1' HD22 ' B' ' 577' ' ' LEU . 3.2 p -95.22 -53.71 3.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 577' ' ' LEU . . . . . 0.471 HD22 ' N ' ' B' ' 577' ' ' LEU . 2.7 mm? -90.39 12.22 19.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 578' ' ' ALA . . . . . . . . . . . . . . . -51.3 -33.32 28.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.066 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 579' ' ' GLY . . . . . . . . . . . . . . . -65.8 -59.02 8.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 580' ' ' LYS . . . . . 0.51 ' HD3' HD22 ' B' ' 614' ' ' LEU . 40.1 mttm -62.29 -40.04 94.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.755 0.312 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 581' ' ' ILE . . . . . 0.66 HD11 HG22 ' B' ' 611' ' ' VAL . 61.4 mt -58.38 -62.05 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 582' ' ' THR . . . . . . . . . . . . . 6.5 t -56.95 -34.02 67.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 583' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 75' ' ' PRO . . . -60.02 -59.83 9.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 584' ' ' MET . . . . . 0.66 ' CE ' ' HB1' ' B' ' 610' ' ' ALA . 37.9 mtm -65.16 -45.82 83.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 585' ' ' LEU . . . . . 0.524 ' O ' HD11 ' B' ' 593' ' ' LEU . 9.8 mp -57.85 -29.25 64.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 586' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 76' ' ' PHE . 1.6 tt -83.56 -19.61 35.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 587' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' B' ' 588' ' ' ILE . 7.5 tp10 -77.3 -55.15 5.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 588' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' B' ' 587' ' ' GLU . 0.7 OUTLIER -33.26 -61.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 589' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.79 106.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 590' ' ' ASN . . . . . 0.752 ' HB3' HD13 ' B' ' 562' ' ' LEU . 84.4 m-20 -52.46 -40.72 62.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 591' ' ' SER . . . . . . . . . . . . . 2.2 t -55.34 -39.18 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 592' ' ' GLU . . . . . 0.647 ' CD ' ' HB2' ' A' ' 64' ' ' ALA . 9.9 tt0 -67.94 -33.81 75.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 593' ' ' LEU . . . . . 0.676 HD12 HD21 ' B' ' 562' ' ' LEU . 2.3 mt -71.7 -35.99 70.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 594' ' ' LEU . . . . . 0.95 HD11 HD12 ' B' ' 550' ' ' LEU . 55.5 mt -62.83 -16.45 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 595' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -118.74 -12.08 9.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 596' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -88.21 -23.4 23.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 597' ' ' LEU . . . . . 0.736 ' C ' HD22 ' B' ' 597' ' ' LEU . 0.0 OUTLIER -69.55 -6.5 31.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 598' ' ' GLU . . . . . 0.511 ' N ' HD13 ' B' ' 597' ' ' LEU . 13.3 mt-10 -89.03 9.02 26.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 599' ' ' SER . . . . . . . . . . . . . 48.4 t -134.05 128.38 19.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 0.0 110.897 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 600' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -48.3 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 601' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.19 -18.74 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 23.2 m -84.76 -54.16 4.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 603' ' ' LEU . . . . . 0.455 HD11 ' HE3' ' B' ' 573' ' ' MET . 7.1 tp -52.21 -58.51 6.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 604' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -57.33 -41.34 79.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 9.4 t -54.87 -53.21 58.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 606' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.4 -54.3 48.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 607' ' ' VAL . . . . . 0.603 ' O ' HG23 ' B' ' 611' ' ' VAL . 93.9 t -51.13 -52.02 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 608' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.75 -51.23 69.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 609' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -55.38 -52.16 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 610' ' ' ALA . . . . . 0.66 ' HB1' ' CE ' ' B' ' 584' ' ' MET . . . -51.73 -60.17 3.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 611' ' ' VAL . . . . . 0.667 HG11 ' CE1' ' B' ' 574' ' ' HIS . 40.4 t -50.24 -43.3 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 612' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.56 88.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 613' ' ' VAL . . . . . 0.621 HG21 ' HG ' ' A' ' 69' ' ' LEU . 70.2 t -63.33 -40.87 90.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 614' ' ' LEU . . . . . 0.51 HD22 ' HD3' ' B' ' 580' ' ' LYS . 12.6 mt -51.04 -36.13 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 615' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -53.34 -34.47 57.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 616' ' ' ALA . . . . . . . . . . . . . . . -57.37 -24.33 54.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 617' ' ' HIS . . . . . 0.412 ' HB2' HG11 ' A' ' 71' ' ' VAL . 2.3 t-160 -111.26 -64.12 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 618' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.44 141.61 21.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.55 -71.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 620' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -137.51 26.77 2.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 621' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 58.0 43.65 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 622' ' ' ALA . . . . . . . . . . . . . . . -108.05 106.79 17.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 623' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.907 . . . . . . . . 0 0 . 1 stop_ save_