data_2i7u_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 2i7u _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.78 0.324 . . . . 73.11 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -54.09 50.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 75.22 110.882 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -72.43 -28.47 62.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 44.31 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -56.91 8.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 74.1 110.923 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.33 -47.05 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.16 -32.1 61.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 73.01 111.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -72.6 -39.97 66.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 75.34 110.933 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -60.54 -31.14 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 70.12 110.963 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.93 -33.39 74.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 75.33 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -70.93 -31.5 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.911 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -42.93 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 74.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -61.53 -47.34 86.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.55 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -27.26 67.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.941 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -50.65 73.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.868 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.59 -31.15 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 72.22 110.935 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.32 90.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 63.23 111.085 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.69 -43.36 89.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 71.23 110.894 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -31.65 71.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 62.11 110.817 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.99 -32.21 66.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 72.2 111.103 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.13 -31.19 61.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.44 111.079 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -73.5 -32.2 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.905 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -31.31 61.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 73.32 110.908 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -29.64 61.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.969 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -92.15 -26.98 17.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 75.41 110.832 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 63.4 112.554 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.882 0.372 . . . . 74.04 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 mt -54.66 -32.15 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.024 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.0 ttm -75.1 -29.9 60.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 62.34 110.895 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -74.85 -34.48 62.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 74.44 110.915 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -43.45 98.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.54 110.855 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -47.07 69.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 73.14 110.856 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.12 -31.45 67.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 75.32 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.85 -38.89 76.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 63.45 110.862 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.42 85.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.42 111.09 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.05 -28.91 67.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 74.32 111.068 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -65.22 -33.26 75.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.872 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -37.62 86.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 70.0 110.96 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.79 -28.93 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 75.13 111.151 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.81 -33.22 62.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 72.23 110.943 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -74.42 -31.71 62.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 63.32 110.851 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.51 -34.67 63.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.915 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.78 -33.31 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.35 110.9 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -45.39 93.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 74.32 110.874 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.03 -47.77 27.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 73.12 110.887 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.3 -25.1 58.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.51 111.092 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.19 -52.08 65.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 75.24 110.843 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.59 -26.77 60.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 71.05 110.903 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -67.34 -33.05 74.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.871 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 75.33 110.896 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.818 0.342 . . . . 75.23 110.908 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.5 -56.23 16.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.848 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.83 -34.29 77.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.885 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -62.57 -34.22 76.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 74.13 110.85 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -54.35 42.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.54 111.049 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.99 -33.56 52.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 73.41 111.111 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -31.95 59.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -31.35 72.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 74.51 110.918 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -55.6 -27.53 49.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.22 110.922 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.78 -32.45 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 73.15 110.887 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -51.99 -49.77 62.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.86 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -58.11 -54.08 51.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.892 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.17 -36.06 60.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 73.41 110.867 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -46.82 80.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 75.13 110.896 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.2 -26.88 60.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.918 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.81 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 73.22 111.126 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -64.78 -40.73 95.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.05 110.866 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.26 -32.52 73.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 72.23 110.884 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.78 -32.16 71.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 62.32 111.182 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -32.14 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.52 111.144 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -73.79 -32.49 63.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 75.23 110.865 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -31.98 60.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.958 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.38 -30.99 48.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 73.14 110.913 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -85.67 -26.72 25.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 64.03 110.89 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 53.43 112.438 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.426 -0.269 . . . . 72.15 112.426 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -83.15 -27.85 29.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.948 0.404 . . . . 73.43 110.878 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -51.9 -36.01 47.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.871 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.5 ptm -75.88 -30.68 58.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 75.42 110.862 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -77.12 -29.57 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.878 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 tt -73.32 -37.01 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 75.23 110.924 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 51.9 t -69.49 -30.14 67.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 71.42 110.831 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.28 -35.21 63.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 70.0 110.929 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.88 -45.32 71.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.846 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.04 -48.12 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 54.45 111.116 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.18 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 75.41 111.077 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -36.95 83.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -41.02 96.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 72.25 110.823 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.2 86.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 63.21 111.143 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.65 -33.28 73.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 71.45 110.886 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -74.38 -26.87 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.15 110.886 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -30.41 66.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 72.32 110.954 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.91 -33.22 49.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 74.31 110.88 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -43.0 82.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.843 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.02 -37.24 67.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.5 -28.71 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 60.22 111.103 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -41.75 89.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.876 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.88 -26.45 54.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.894 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -74.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 75.55 110.823 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 56.7 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.984 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.845 0.355 . . . . 74.51 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -35.28 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 75.44 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -32.31 73.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -65.16 -33.33 75.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.847 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.92 -53.06 45.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.3 111.1 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.86 -31.09 62.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 65.31 111.1 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.73 -41.75 52.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.923 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.53 -31.09 70.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 75.11 110.874 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -58.45 -34.71 71.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 70.31 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -34.95 73.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 55.45 110.898 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.57 -48.08 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 73.55 110.907 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -55.57 -48.51 74.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.51 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -28.27 68.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.898 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -61.68 -46.48 89.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.02 110.849 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.8 mt -74.62 -31.03 61.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.443 . . . . 72.41 110.916 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.03 -41.62 99.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 71.11 111.131 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.77 -40.97 96.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.897 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -31.28 70.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.31 -32.25 71.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 73.1 111.09 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.5 71.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 65.01 111.056 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -66.6 -37.06 84.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 74.12 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -34.53 77.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.879 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mt -67.4 -41.52 84.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.901 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -98.63 18.3 17.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.867 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 33.55 112.522 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.888 0.375 . . . . 75.32 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mt -55.29 -30.3 59.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.5 ttp -76.39 -32.93 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 73.51 110.895 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -75.4 -33.94 61.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.945 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -49.27 75.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.916 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.8 m -70.61 -46.46 63.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.05 110.871 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.36 -31.04 63.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.23 110.889 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.57 -44.3 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.854 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.37 97.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.22 111.128 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.11 -25.23 63.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 72.54 111.185 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -65.75 -40.46 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.51 110.919 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -26.81 68.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 75.24 110.952 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.85 -38.34 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.134 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.53 -33.28 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 75.31 110.91 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.74 -32.58 63.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 75.44 110.89 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.38 -29.3 62.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.95 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.87 -33.23 66.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.902 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -47.12 87.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 51.35 110.902 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -33.63 52.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.25 110.907 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.09 -29.97 70.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 72.41 111.042 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -47.34 71.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.11 110.89 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -27.05 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 62.3 110.851 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -81.63 -74.78 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 72.5 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 72.55 110.903 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.788 0.328 . . . . 74.11 110.906 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -49.97 73.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.877 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 73.34 110.854 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -60.16 -40.94 91.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.14 110.851 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -54.08 45.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.01 111.095 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.04 -30.7 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 64.34 111.095 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 -40.0 63.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 75.43 110.831 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -31.74 71.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 72.42 110.92 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -55.28 -37.5 67.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 75.44 110.89 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -31.34 71.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 71.51 110.855 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -52.05 -39.75 60.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 72.44 110.891 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -58.51 -47.46 84.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 73.34 110.896 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -64.03 -28.53 69.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.3 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -49.6 76.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 74.43 110.851 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.93 -32.12 61.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 75.43 110.912 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.32 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 75.1 111.098 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.41 -38.27 89.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.874 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.19 -34.28 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 72.12 110.947 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.86 70.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 61.43 111.093 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.08 -31.39 64.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 71.12 111.045 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.51 -32.09 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 73.03 110.86 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.98 -31.72 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.927 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 40.2 mt -78.18 -26.31 47.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 75.13 110.922 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -79.1 -31.18 44.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.874 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 64.42 112.45 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.494 -0.243 . . . . 74.43 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -76.83 -32.66 57.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 75.23 110.863 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.67 -31.86 58.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 74.52 110.928 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -30.69 57.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 74.31 110.864 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -76.12 -34.0 59.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 74.31 110.843 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.47 -42.71 96.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 75.24 110.876 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 2.6 m -69.92 -49.58 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.916 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.92 -30.77 69.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.94 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -49.1 64.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 74.12 110.872 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.5 76.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.41 111.092 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.37 -30.83 68.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 65.33 111.081 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -34.19 77.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 74.31 110.874 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -38.66 88.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 73.22 110.889 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.2 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 74.23 111.136 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.28 -33.29 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.935 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -80.85 -32.23 35.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 71.2 110.857 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -33.21 67.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 74.51 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -33.36 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 70.44 110.822 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -63.42 -38.86 92.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.911 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 mp -77.61 -49.49 14.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.96 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.82 -31.14 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 70.35 111.036 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.95 -35.52 59.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.914 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.72 -26.28 60.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.908 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -91.37 -34.55 14.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.898 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.938 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.777 0.322 . . . . 75.33 110.93 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -57.15 11.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.908 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -39.77 79.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 64.53 110.891 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.23 -41.55 99.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.22 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 60.43 111.104 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.65 -34.42 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -33.74 58.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 73.32 110.926 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.88 -29.03 54.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.91 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.4 -28.21 52.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 71.03 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 74.3 110.905 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -52.02 -51.71 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.921 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -55.42 -54.44 43.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 75.33 110.936 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -56.33 -31.72 63.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 74.21 110.916 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -54.43 -50.47 67.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.917 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -31.05 59.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.886 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.71 98.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 43.44 111.095 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.32 -38.47 84.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 75.4 110.84 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.25 -31.14 68.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 73.3 110.895 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -32.47 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 74.41 111.139 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.6 -30.89 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.51 111.115 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -64.4 -32.35 73.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 73.45 110.893 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -75.07 -30.95 61.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 75.45 110.891 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.3 -25.53 51.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.912 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -96.24 -25.6 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.11 110.906 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 73.13 112.484 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.774 0.321 . . . . 75.12 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.9 mt -51.9 -30.05 22.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 73.32 110.927 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.0 ptp -53.75 -32.03 50.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 75.22 110.833 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -77.02 -33.27 57.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 70.43 110.895 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -44.27 79.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 75.23 110.851 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -46.07 33.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 63.23 110.862 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.04 -44.42 78.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.968 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -48.03 64.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 73.3 110.885 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.13 71.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 61.34 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.26 -25.71 55.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 75.15 111.069 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -63.33 -49.95 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 70.03 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -42.1 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 74.43 110.826 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.05 73.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 72.44 111.019 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.55 -33.27 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.938 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -73.98 -29.83 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 75.45 110.854 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.0 tp -69.62 -29.07 66.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 75.55 110.926 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -33.3 67.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.926 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -59.93 -38.14 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 73.22 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -48.49 49.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.916 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.38 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 53.32 111.107 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -69.89 -40.18 75.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 62.31 110.852 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.59 -28.43 56.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 72.14 110.866 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -74.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.841 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.9 -179.91 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 71.31 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -70.5 -43.29 70.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.905 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.1 -44.35 91.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.903 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -77.72 -33.81 52.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 74.12 110.965 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.71 -49.81 61.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 71.32 111.082 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.3 -30.72 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 73.12 111.105 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -74.43 -33.44 62.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.45 110.899 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.33 -31.14 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 73.31 110.902 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -57.94 -29.95 65.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.799 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.52 -31.31 69.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 75.22 110.968 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -52.25 -44.97 65.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 75.54 110.912 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -56.83 -49.22 76.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.898 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -26.26 65.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 74.31 110.915 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.63 -46.05 90.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 73.02 110.918 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -75.07 -32.44 61.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 72.13 110.903 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.87 95.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.095 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -42.87 91.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 70.44 110.878 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.28 -31.1 71.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.872 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.98 69.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 64.45 111.041 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.91 -32.08 43.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 63.13 111.106 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -73.7 -32.71 64.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 75.53 110.808 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.26 -32.28 62.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.283 -0.417 . . . . 74.42 110.895 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 tt -76.94 -26.14 53.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.969 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.29 -26.31 52.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 64.21 110.908 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 45.12 112.422 -179.874 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.471 -0.252 . . . . 75.15 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -64.73 -32.29 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 72.5 110.905 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mt -53.9 -30.55 46.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 65.31 110.909 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 26.9 mtm -75.15 -31.97 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.868 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -76.78 -29.79 56.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 72.42 110.854 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.99 -49.72 74.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 71.11 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.14 -41.17 82.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.903 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -62.86 -33.65 75.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 64.34 110.877 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.26 -41.78 76.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 73.14 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.52 -34.92 76.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 63.51 111.099 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.52 -25.85 62.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 53.42 111.106 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -32.07 73.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.911 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -36.58 79.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.955 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.99 -43.94 94.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.5 111.107 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -33.23 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.855 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -82.03 -32.05 30.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.873 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 -29.37 63.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.925 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -33.44 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 65.42 110.963 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -41.5 89.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 73.34 110.883 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.82 -43.7 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 64.43 110.879 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.4 -32.1 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 71.41 111.11 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.04 -33.79 59.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 64.12 110.862 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.79 -26.29 54.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 74.34 110.88 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 -91.34 -34.71 14.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.04 110.84 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.921 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.791 0.329 . . . . 74.53 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -71.6 -51.87 21.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 72.44 110.914 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.87 -40.67 89.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 52.35 110.921 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.7 -55.11 39.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 70.15 110.91 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.67 -40.43 96.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 75.43 111.045 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -30.82 71.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 75.13 111.095 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -32.37 60.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.879 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -30.75 34.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.874 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.62 -30.34 65.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.846 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.62 -34.91 76.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.838 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.42 -50.05 63.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.04 110.877 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.0 m0 -52.48 -46.33 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.53 110.922 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 -33.4 75.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 74.45 110.831 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -46.28 78.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 73.42 110.966 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.3 mt -75.48 -31.65 60.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.889 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.91 97.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 73.52 111.074 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.57 -34.13 75.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -31.0 64.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.915 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.96 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 74.24 111.1 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.4 -31.93 58.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 72.33 111.119 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.61 -32.58 64.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.32 110.91 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -32.44 68.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.907 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 tp -78.94 -27.58 43.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 64.11 110.916 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -79.92 -26.2 40.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 75.4 110.926 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 61.05 112.519 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.918 0.39 . . . . 73.35 110.838 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.1 mt -51.97 -29.52 20.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 75.15 110.913 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.61 -35.96 60.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.53 110.952 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -71.36 -32.97 69.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.959 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.63 -51.19 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.944 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.1 m -75.44 -31.53 60.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.892 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.94 -30.97 71.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 73.31 110.795 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.61 -48.32 75.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 72.41 110.879 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.71 -40.8 84.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 75.41 111.125 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.53 -26.67 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 54.42 111.132 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -38.8 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.858 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -59.97 -42.12 93.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 71.21 110.873 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.77 -33.91 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 74.14 111.069 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.76 -33.32 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 75.42 110.858 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -80.05 -31.56 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 74.1 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -29.82 64.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 73.44 110.833 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -33.38 66.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.421 . . . . 72.5 110.893 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -62.45 -49.28 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.02 110.921 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -43.34 80.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 75.45 110.899 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.99 -25.09 42.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 72.1 111.112 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -60.14 -44.52 94.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.919 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -77.12 -26.23 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.841 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -69.15 -33.95 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 65.31 110.889 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.9 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.815 0.34 . . . . 62.42 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -53.3 -29.7 34.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.863 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.43 -40.94 85.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 71.02 110.908 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -44.36 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 71.34 110.872 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.39 83.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 70.13 111.083 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.76 -36.18 71.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 74.42 111.104 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -71.96 -32.81 67.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.51 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -31.56 53.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.83 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -57.26 -34.32 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.925 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.14 -32.02 66.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 75.32 110.917 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -40.18 63.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.495 . . . . 73.35 110.909 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -57.32 -50.46 72.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 74.34 110.919 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -26.38 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 71.12 110.941 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -49.83 76.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 74.3 110.871 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -30.15 60.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 71.31 110.925 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.1 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 74.53 111.055 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.21 -39.1 86.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 73.53 110.9 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -71.88 -31.0 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 72.15 110.902 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.62 -31.59 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 73.33 111.067 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.26 -32.52 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 72.34 111.141 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -68.69 -36.58 78.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 73.31 110.954 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.36 -34.72 77.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.857 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.46 -42.85 82.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.964 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.6 18.42 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.878 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 65.24 112.468 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.469 -0.252 . . . . 70.32 112.469 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -78.14 -30.85 49.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 74.0 110.928 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mp -52.02 -29.45 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.22 110.926 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 12.9 mtt -75.2 -35.99 61.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.95 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.59 -33.24 70.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.35 110.894 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.71 -35.03 74.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.91 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -74.34 -44.3 53.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 73.24 110.881 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -65.21 -29.85 70.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.83 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.8 -49.61 75.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 75.2 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -40.26 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 72.22 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.56 -28.19 62.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 75.4 111.076 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -36.24 83.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 64.54 110.93 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -59.33 -35.05 73.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 73.24 110.941 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -32.51 73.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 75.14 111.131 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -71.85 -33.41 68.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 72.01 110.84 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -80.13 -30.98 39.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 72.43 110.883 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 mt -74.25 -31.48 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.933 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -33.28 74.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 75.43 110.879 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -63.67 -41.97 98.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.22 110.884 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.22 -45.63 25.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 75.01 110.885 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.15 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 74.23 111.077 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -56.12 -50.98 69.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 72.33 110.908 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -77.55 -26.41 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 63.21 110.898 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -66.2 -36.78 83.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 72.32 110.924 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 65.43 110.889 179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.811 0.338 . . . . 75.42 110.949 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -51.86 -32.35 31.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 74.11 110.917 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -54.74 -49.82 69.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 73.34 110.905 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -71.85 -36.16 70.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 73.14 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -34.71 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.43 111.188 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.27 -32.51 70.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 65.43 111.126 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -73.16 -32.66 65.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 mt -53.63 -32.59 51.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.903 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.92 -29.5 69.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 71.2 110.84 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -33.22 67.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.923 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -53.64 -46.16 70.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 64.24 110.912 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.06 -50.43 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 74.35 110.938 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -58.74 -32.83 69.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 75.43 110.929 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -51.27 66.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.911 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.23 -28.97 62.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 74.31 110.821 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.41 89.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 62.21 111.062 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.53 -45.87 85.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 71.1 110.892 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -66.35 -31.07 71.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 72.34 110.872 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.96 -31.18 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 70.35 111.107 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.19 -32.42 71.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 74.33 111.111 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -65.87 -40.7 91.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 73.35 110.947 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -35.9 82.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.941 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.58 -37.9 83.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.948 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -98.59 16.51 21.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 63.21 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 61.41 112.49 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.936 0.398 . . . . 73.25 110.973 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.16 -31.57 52.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 74.01 110.951 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.2 mtt -69.8 -32.71 71.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 74.24 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -42.58 54.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 72.25 110.897 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.63 -30.48 67.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 70.44 110.915 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.51 -49.07 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.846 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 70.3 110.848 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.74 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.863 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.95 -49.49 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 61.14 111.126 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.47 66.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 73.11 111.129 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -62.49 -41.96 99.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 72.5 110.914 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -57.06 -29.52 63.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.849 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.87 -41.6 82.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.119 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -33.37 70.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 74.33 110.953 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.3 -31.91 69.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 74.3 110.932 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mt -72.01 -29.01 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.957 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -33.37 57.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.853 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -59.65 -51.26 70.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 73.21 110.904 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -40.06 69.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 71.32 110.864 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.94 -30.72 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.33 111.076 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.92 -48.92 74.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.11 110.889 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.38 -28.45 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 74.2 110.909 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -75.77 -74.78 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 74.03 110.915 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.5 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 75.3 110.916 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.797 0.332 . . . . 74.42 110.943 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -66.86 -40.69 87.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 74.45 110.876 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -69.65 -30.96 68.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.885 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.38 -52.81 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 75.35 110.899 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.2 -47.64 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 71.41 111.066 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.74 60.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 72.14 111.052 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.9 -37.71 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 72.44 110.932 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.6 mt -56.8 -32.67 65.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.85 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -61.89 -37.14 83.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 65.52 110.855 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.63 -32.55 74.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 61.44 110.957 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -53.57 -44.59 69.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 75.5 110.844 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -56.61 -46.56 80.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 75.31 110.873 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -60.77 -29.02 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 74.5 110.9 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -60.11 -51.01 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 73.24 110.825 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 74.1 mt -69.78 -31.64 69.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.272 -0.422 . . . . 73.23 110.929 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.7 93.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 74.43 111.071 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.71 -43.27 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 65.44 110.879 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 63.22 110.841 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.36 -31.61 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.32 111.062 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.1 -30.41 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 70.35 111.067 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -71.35 -31.76 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 75.03 110.921 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -31.87 64.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.966 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.54 -27.76 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.932 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.73 -27.68 44.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.832 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 71.11 112.465 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.478 -0.249 . . . . 73.14 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.57 -28.32 62.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.903 0.382 . . . . 75.12 110.952 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.06 -29.39 68.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 75.21 110.907 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 30.3 mtt -68.97 -44.59 72.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.52 110.838 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.01 -29.59 55.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.91 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.17 -47.53 78.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.895 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -39.15 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 62.45 110.864 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.18 -30.3 71.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.856 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -37.74 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.857 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.42 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.53 111.138 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.0 -26.98 65.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 73.34 111.085 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -60.64 -39.92 90.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 72.23 110.844 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -33.36 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 70.45 110.865 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 75.13 111.055 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.44 -33.3 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 75.54 110.87 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -71.21 -29.69 65.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 74.11 110.917 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.59 -28.6 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.2 110.912 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -33.33 64.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.874 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -46.82 88.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 70.12 110.921 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -38.91 48.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.841 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.84 -27.32 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 54.43 111.141 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -63.52 -44.21 94.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 74.15 110.852 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.43 -27.03 52.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.872 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 43.5 mmt-85 -69.34 -33.04 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.867 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 71.03 110.916 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.828 0.347 . . . . 70.2 110.988 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -52.3 -39.86 61.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -68.58 -35.28 77.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.45 110.903 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -33.87 63.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.91 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.93 -43.84 63.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 75.21 111.127 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.62 -34.87 76.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 71.11 111.055 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -32.15 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 72.03 110.899 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.12 -30.57 49.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 71.4 110.885 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.4 -28.65 55.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.91 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -33.14 68.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.891 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.24 -45.42 65.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 72.41 110.884 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -59.19 -50.53 73.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 74.24 110.858 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -52.44 -29.59 25.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 74.34 110.878 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -55.09 -51.43 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 71.3 110.883 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.2 mt -74.51 -32.59 62.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 74.43 110.896 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.96 99.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.104 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.3 -37.22 83.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 72.35 110.87 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -32.34 70.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.882 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.78 -30.87 69.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 74.33 111.112 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.98 -32.46 57.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.41 111.128 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -33.25 68.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 75.11 110.848 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -30.93 60.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 72.14 110.892 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp -79.31 -26.54 42.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 72.32 110.846 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -94.11 -25.98 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 72.22 110.912 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 74.23 112.471 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.92 0.391 . . . . 72.32 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mp -55.34 -33.79 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.917 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.4 ptm -76.5 -28.44 56.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 75.53 110.876 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -32.77 57.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 73.3 110.857 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -35.46 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 75.42 110.917 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -42.38 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 71.52 110.883 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.58 -30.03 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.88 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.09 -46.17 85.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 72.51 110.833 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.96 96.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.33 111.121 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -28.39 66.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 72.33 111.074 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -63.3 -29.33 70.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 72.12 110.904 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -61.61 -32.68 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.896 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.14 67.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 63.35 111.108 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.93 -33.4 68.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.89 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -79.18 -28.92 42.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 75.42 110.937 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.6 mt -73.82 -28.56 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 73.04 110.925 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -33.34 70.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.912 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -48.3 81.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 64.31 110.91 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.78 -25.77 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.916 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.66 67.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 73.12 111.082 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.11 -31.42 58.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 73.02 110.866 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.8 -22.54 49.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 72.22 110.921 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -71.26 -76.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 75.51 110.864 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 64.51 110.973 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.845 0.355 . . . . 75.22 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -51.84 61.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 75.32 110.893 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.02 -31.63 71.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.901 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -45.41 68.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 54.1 110.834 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.7 -52.15 64.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 70.2 111.11 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.93 -29.24 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 71.24 111.075 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.63 -33.02 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 75.51 110.986 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -31.14 71.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 75.42 110.847 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -55.92 -39.31 71.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 75.22 110.868 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -73.16 -35.62 66.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 74.33 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -25.29 33.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 71.15 110.847 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -59.64 -41.49 90.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 74.51 110.98 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -67.14 -21.56 65.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.951 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -50.67 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.904 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.5 -32.84 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.897 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.21 -44.49 95.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 64.1 111.092 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -68.72 -31.86 71.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 75.25 110.837 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.65 -31.84 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.875 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.72 -30.94 67.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 75.03 111.102 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.17 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 72.33 111.106 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -64.45 -33.58 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 72.12 110.905 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.5 -30.87 61.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.896 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.95 -25.68 56.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.895 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -96.55 -25.92 15.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 74.43 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 71.31 112.475 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.475 -0.25 . . . . 71.14 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -70.42 -28.34 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 75.14 110.845 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 41.4 mt -59.99 -29.53 68.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.868 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -68.87 -44.79 72.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.55 110.823 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -77.03 -29.78 55.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 73.02 110.891 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -39.2 81.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.86 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.07 -50.38 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 75.15 110.913 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.09 -29.88 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.25 110.969 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.49 -31.95 56.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 65.22 110.884 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.23 -40.87 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 73.44 111.096 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.27 57.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 74.03 111.108 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -54.72 -47.07 74.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 72.44 110.899 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -55.78 -32.73 63.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.952 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.23 -26.76 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.106 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.68 -33.26 62.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.88 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.12 -33.94 29.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -28.91 59.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 64.43 110.986 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -33.4 46.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.811 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -51.55 69.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 71.42 110.936 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.5 mt -77.75 -26.1 49.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.935 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.17 65.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 73.54 111.05 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -74.47 -52.33 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.856 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.54 -22.59 66.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.13 -0.486 . . . . 72.24 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 72.11 110.902 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 73.43 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.845 0.355 . . . . 73.21 110.928 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -61.58 -57.04 13.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.1 110.877 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -26.23 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 73.13 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -65.28 -52.61 53.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.876 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.27 -48.97 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 70.44 111.132 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.64 -29.17 24.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 72.54 111.078 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -41.89 60.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 75.45 110.87 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 mp -55.05 -32.87 62.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 71.32 110.875 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -59.29 -46.08 89.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.34 110.906 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.04 -31.31 61.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 73.52 110.868 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -54.42 -26.05 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 61.25 110.858 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -58.48 -40.87 83.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.92 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -30.58 24.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.886 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -59.11 -51.45 69.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 72.12 110.846 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.49 -34.76 77.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 75.13 110.913 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.97 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 54.54 111.081 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -29.96 67.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 74.34 110.868 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -31.08 62.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 73.41 110.889 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.4 -33.13 71.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 64.53 111.092 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.34 -29.83 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 63.32 111.069 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -66.89 -31.24 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.22 110.91 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.69 -32.98 66.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 65.14 110.927 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.3 -36.63 46.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.951 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -25.78 33.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.852 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.684 -0.77 . . . . 72.5 112.429 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.908 0.385 . . . . 74.12 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 tp -58.77 -29.57 66.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 74.03 110.924 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.5 ttm -51.94 -31.03 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 64.34 110.867 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -77.02 -55.6 5.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 64.15 110.903 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.72 -26.47 63.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 73.02 110.952 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.5 t -69.43 -40.75 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 65.05 110.916 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -41.41 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.09 -42.28 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 64.2 110.842 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.56 71.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 74.2 111.085 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.39 -25.27 54.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.111 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -73.04 -43.19 62.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.936 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -26.1 68.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.875 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.45 -46.46 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 72.2 111.148 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -33.27 62.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.946 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -70.29 -30.92 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 63.23 110.88 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -28.33 68.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.889 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -33.36 68.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.921 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -41.63 98.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.909 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -34.69 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 72.35 110.937 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.98 -25.28 68.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 72.22 111.042 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.13 -41.3 50.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 75.1 110.863 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -78.13 -21.53 50.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.43 110.871 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -98.77 -72.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 71.33 110.877 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.934 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.816 0.341 . . . . 75.51 110.846 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -51.84 -33.52 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -57.91 -46.55 84.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 72.03 110.953 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -74.81 -30.87 61.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 73.23 110.888 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.98 -52.15 52.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 74.32 111.08 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -30.66 68.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 74.53 111.055 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -31.95 58.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 74.04 110.964 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.55 -33.07 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.923 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -59.27 -28.17 66.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 74.42 110.893 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -71.66 -31.15 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.52 110.95 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -51.98 -35.22 45.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 75.02 110.879 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -58.04 -41.58 83.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 75.42 110.893 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -58.9 -26.22 64.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 75.44 110.905 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -51.49 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 72.11 110.855 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -30.47 59.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 71.22 110.92 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.52 85.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 64.33 111.123 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.96 -36.37 81.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 75.32 110.937 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.23 -30.93 70.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 71.33 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.48 -30.72 57.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 61.44 111.06 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.38 65.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 74.31 111.08 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -31.2 62.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.946 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -41.47 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.35 110.891 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.6 -24.39 53.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 64.44 110.888 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.35 -26.33 28.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 65.4 110.956 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.737 -0.744 . . . . 52.42 112.471 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.481 -0.248 . . . . 71.54 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -66.68 -32.74 74.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 75.01 110.857 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.65 -33.33 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.936 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 4.0 ttt -76.49 -32.48 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.33 110.869 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -76.7 -31.39 57.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 72.54 110.933 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -36.24 77.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.41 110.886 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 t -73.99 -46.12 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 70.21 110.871 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.61 -36.35 69.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 71.23 110.923 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.15 -35.0 75.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 65.42 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.26 -46.49 64.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 54.3 111.129 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.62 -25.04 62.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.105 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -63.2 -36.08 82.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -39.58 71.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.891 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.89 81.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 61.42 111.082 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -33.26 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 52.24 110.905 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -81.12 -30.58 34.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 72.22 110.867 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -29.57 60.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 75.33 110.947 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -33.3 63.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.92 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -60.97 -51.81 67.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 73.34 110.906 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.87 -35.03 67.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.45 110.962 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.65 -27.96 66.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.33 111.07 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.96 -35.43 59.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 71.24 110.883 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.9 -26.19 60.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -63.76 -30.49 71.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 73.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.922 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.861 0.362 . . . . 74.25 110.981 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -62.13 -28.97 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.863 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -72.46 -41.1 66.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 75.23 110.892 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -73.26 -32.87 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 71.5 110.862 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.58 -43.32 60.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 63.14 111.093 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.94 85.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 71.33 111.105 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -72.7 -32.56 65.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.879 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.37 -30.58 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.918 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -55.25 -30.97 61.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.862 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -34.05 68.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.52 110.908 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.27 -41.27 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.913 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -57.78 -51.04 71.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 73.14 110.951 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -68.52 -28.35 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.02 110.922 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -55.45 -51.54 66.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 75.42 110.882 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.61 -32.69 60.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 75.35 110.93 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.66 99.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 75.42 111.141 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -63.52 -44.3 94.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.843 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.35 -32.03 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 75.15 110.858 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.26 73.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 53.22 111.128 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.61 -32.59 74.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.53 111.092 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -73.76 -32.78 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 73.22 110.975 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.58 -31.77 63.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.2 110.9 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 tt -77.23 -26.2 52.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.896 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -77.06 -26.99 54.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.881 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 73.33 112.451 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.876 0.37 . . . . 74.11 110.846 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.66 -30.7 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.892 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.0 mtt -76.16 -32.79 59.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 62.2 110.869 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.64 -31.2 61.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 71.34 110.874 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -57.92 -49.0 78.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -37.04 70.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 71.22 110.873 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.96 -30.63 71.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.926 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -53.67 -44.92 70.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 74.11 110.906 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.24 -48.85 79.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 75.01 111.078 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.48 -26.82 68.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 70.43 111.039 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -36.99 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.55 110.95 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -30.87 70.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.25 110.874 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.47 65.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 71.01 111.051 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -71.13 -33.26 69.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 72.31 110.868 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -81.64 -32.73 31.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 73.33 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -30.78 71.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 73.02 110.916 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -33.31 72.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 60.54 110.878 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -69.6 -41.92 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.982 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.73 -37.58 65.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.35 110.932 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.97 -28.31 64.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 74.12 111.093 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -45.39 87.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 74.32 110.867 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -77.16 -26.95 53.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 75.25 110.857 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -74.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.92 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.925 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 71.13 110.917 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -52.88 63.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 75.53 110.914 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -72.34 -27.72 62.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.894 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -57.23 13.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.93 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.58 95.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 74.11 111.171 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.24 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 70.32 111.15 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -59.57 -40.03 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.53 110.948 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.87 -30.43 71.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.31 110.845 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -49.82 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.865 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -35.87 74.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 75.44 110.913 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -52.66 46.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 64.53 110.895 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.19 -44.34 22.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 75.11 110.899 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -29.46 25.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 73.41 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -77.77 -35.69 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 74.2 110.867 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.82 -33.16 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 74.24 111.012 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.33 -42.0 96.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 73.21 111.067 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.7 -30.13 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 62.13 110.872 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -74.83 -31.41 61.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 72.04 110.853 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.1 -30.85 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 64.04 111.124 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.1 -30.56 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 63.25 111.098 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -68.92 -32.6 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 72.43 110.909 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.46 -32.76 71.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 75.02 110.927 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -73.71 -38.51 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.904 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.45 -26.81 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.881 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.718 -0.753 . . . . 71.04 112.49 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.475 -0.25 . . . . 74.31 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.01 -32.87 74.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.914 0.388 . . . . 75.35 110.927 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 46.1 mt -54.48 -30.72 54.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 73.51 110.887 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 25.3 ttp -75.34 -28.98 59.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.84 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -37.37 59.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 74.33 110.976 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -42.88 89.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 65.44 110.912 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -73.77 -40.71 63.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 63.44 110.88 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -66.0 -30.56 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 54.52 110.895 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.41 -40.89 62.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.923 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.0 -30.69 71.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 70.21 111.083 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.74 -30.8 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 63.15 111.118 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -56.15 -53.64 54.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 74.34 110.848 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -55.81 -26.08 44.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.917 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.6 -26.58 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 43.23 111.091 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -74.33 -33.16 63.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.69 -29.48 33.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.878 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mp -67.1 -46.29 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.846 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -33.27 63.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.52 110.882 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -40.63 94.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.89 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.43 -46.3 23.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 73.12 110.958 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 -31.1 64.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.096 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -69.42 -48.93 59.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.975 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -64.66 -26.28 68.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.839 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.11 -37.53 23.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 73.4 110.913 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 58.6 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 74.05 110.952 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.822 0.344 . . . . 73.41 110.908 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 mmt-85 -60.53 -56.09 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 71.33 110.883 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.38 -37.81 87.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 72.2 110.844 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.83 -30.66 69.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 72.11 110.865 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.9 -45.61 64.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 75.41 111.094 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.28 -45.78 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 74.52 111.084 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -75.96 -31.95 59.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.932 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.9 tp -53.2 -32.86 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 75.13 110.916 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -57.5 -27.33 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 75.41 110.868 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -65.47 -31.39 72.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.04 -47.91 64.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 73.31 110.903 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -55.54 -44.35 76.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 73.01 110.85 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -52.05 -31.88 32.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 71.31 110.926 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -53.99 -49.55 68.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 75.54 110.934 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.4 mt -75.57 -32.88 60.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 75.55 110.964 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.21 -42.58 99.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 74.25 111.137 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -38.71 87.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.898 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.45 -31.06 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 65.42 110.838 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.71 -32.15 71.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 70.41 111.096 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.55 -32.42 60.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 64.23 111.16 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -73.8 -31.33 63.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 64.03 110.947 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.82 -32.31 61.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 74.04 110.89 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -76.18 -35.89 58.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 73.44 110.895 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.81 -26.2 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 71.01 110.87 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.696 -0.764 . . . . 70.11 112.468 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.846 0.355 . . . . 70.13 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.72 -30.65 61.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 74.24 110.985 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.6 mtm -76.34 -32.85 58.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.908 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -75.97 -29.64 58.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.913 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.22 -53.44 57.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 74.2 110.909 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.7 m -66.43 -38.09 86.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -62.74 -33.82 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 74.23 110.877 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.36 -44.01 97.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.9 -37.77 86.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.105 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.64 57.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 63.14 111.059 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.23 -31.01 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.874 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -28.3 68.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.877 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.96 -29.52 64.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 73.03 111.063 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.36 -33.23 63.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 73.22 110.853 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.5 -28.45 46.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.894 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -28.83 64.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.909 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.16 -33.36 57.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.923 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -62.44 -43.3 99.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 74.51 110.956 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.82 -46.89 20.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 73.01 110.936 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.86 -31.96 42.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.35 111.103 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -76.09 -33.75 59.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 73.13 110.847 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.77 -26.1 54.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 74.35 110.847 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -92.46 -35.41 13.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.24 110.87 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 68.7 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 71.44 110.947 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.741 0.305 . . . . 74.44 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -64.07 -56.24 16.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.869 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.16 -31.17 67.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 72.44 110.843 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.59 -31.03 68.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.88 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -29.02 61.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 64.12 111.102 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.44 -28.72 21.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 73.55 111.144 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -58.82 -32.08 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 75.52 110.849 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.96 -32.86 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.907 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.93 -43.11 99.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.41 110.877 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.35 -31.32 62.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 70.11 110.888 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.17 -25.33 31.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.24 110.867 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -59.2 -41.21 88.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 65.3 110.885 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -19.74 60.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 65.11 110.921 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -49.01 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 65.53 110.929 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -75.53 -32.91 60.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.938 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.16 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 74.4 111.133 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -68.85 -38.17 79.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.899 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.5 -30.94 63.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 73.01 110.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.28 -30.78 57.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 72.33 111.019 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.72 -30.01 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 74.4 111.095 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -31.87 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.933 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.34 -31.44 60.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 70.1 110.931 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.93 -29.95 39.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.35 110.933 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.08 -26.27 20.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 74.15 110.913 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 54.12 112.476 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.576 -0.21 . . . . 71.04 112.576 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -65.73 -28.45 69.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 72.5 110.859 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.91 -29.55 68.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 75.34 110.971 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 38.3 ttm -68.91 -44.53 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 64.3 110.862 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -77.05 -29.65 55.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 75.14 110.865 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.01 -34.14 71.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.24 110.93 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 38.0 t -73.84 -45.1 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 74.21 110.886 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.19 -29.85 47.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.881 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -35.54 48.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.52 110.843 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -49.72 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 64.02 111.062 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.26 61.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 71.4 111.111 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.63 -51.94 67.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 74.1 110.851 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -51.92 -30.36 24.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.905 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.6 -36.33 70.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 75.41 111.074 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.25 -33.21 67.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.867 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -78.1 -32.17 50.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 73.23 110.888 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -28.47 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.943 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -33.26 48.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.88 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -51.21 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 54.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.9 -41.53 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 75.14 110.845 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.45 -29.14 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 75.54 111.094 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.49 -44.29 75.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 63.55 110.914 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.2 -25.46 66.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 72.32 110.897 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -88.27 -35.34 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 73.21 110.826 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.33 110.912 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.775 0.321 . . . . 73.1 110.91 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -69.63 -54.97 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.42 110.86 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -54.45 -39.83 67.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.23 110.896 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -31.58 66.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 65.11 110.865 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.37 -49.46 76.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 55.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.01 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.3 111.121 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -34.93 72.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 75.01 110.876 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.91 -30.85 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 75.01 110.941 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -60.19 -27.45 67.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 71.3 110.872 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.69 -32.2 62.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 70.13 110.881 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -54.76 -37.62 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 63.51 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -64.86 -52.12 58.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 74.1 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -33.32 75.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 62.41 110.897 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.55 63.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.894 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.68 -26.12 57.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 75.12 110.917 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.79 91.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 63.53 111.079 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.64 -47.16 86.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.868 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.89 -30.95 71.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 75.2 110.925 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -32.05 72.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 74.31 111.104 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.46 -29.8 70.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 64.12 111.056 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.0 -40.52 71.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 74.44 110.909 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -35.49 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.23 110.91 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.9 mt -68.14 -36.38 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.925 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.66 15.71 24.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.874 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 73.23 112.475 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.86 0.362 . . . . 73.52 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.94 -30.5 64.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.927 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.1 mtt -74.07 -31.58 62.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.921 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -76.97 -32.57 57.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 74.44 110.906 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -48.6 78.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 75.4 110.9 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.52 -46.69 68.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 64.4 110.89 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.64 -45.04 81.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.45 110.881 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.14 -48.88 78.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.52 -38.98 67.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 63.32 111.073 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.79 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 64.15 111.102 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -37.59 88.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.23 110.897 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -32.97 68.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.25 110.878 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.48 69.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 65.02 111.12 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -33.34 74.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.889 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -77.47 -31.72 53.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 74.04 110.884 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -35.81 68.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 73.45 110.863 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -33.26 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.879 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -40.52 96.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.872 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.6 mp -77.1 -47.87 19.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 75.2 110.888 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.59 -27.45 49.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 75.21 111.138 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -76.12 -34.44 59.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -77.53 -26.33 50.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 63.24 110.914 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -86.79 -37.18 18.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 75.53 110.854 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.32 110.949 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.823 0.344 . . . . 74.35 110.942 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -35.33 75.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.25 110.863 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.88 -32.37 73.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 64.33 110.899 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -35.23 64.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 73.34 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.02 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 74.13 111.069 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.04 93.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 63.31 111.133 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -33.73 67.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 75.23 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.03 -37.93 55.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 70.2 110.837 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -38.23 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.03 110.919 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -37.21 86.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 74.14 110.883 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -51.6 -53.33 39.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 72.41 110.885 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -45.71 18.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 71.15 110.926 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -28.82 22.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.862 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -72.17 -43.62 64.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.878 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.4 -40.82 83.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 63.13 110.882 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.33 95.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 74.01 111.121 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -70.53 -29.92 66.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 73.14 110.873 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.43 -34.18 65.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.33 110.899 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.15 -32.27 72.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.24 111.103 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.01 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 63.54 111.102 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -74.01 -32.06 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.04 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.47 -32.34 60.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 72.34 110.964 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.76 -34.7 62.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.903 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -25.63 24.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.844 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 62.42 112.484 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.492 -0.243 . . . . 44.33 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -82.95 -33.31 26.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.929 0.395 . . . . 74.33 110.899 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mt -57.49 -29.64 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 75.25 110.884 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 34.9 ttm -76.46 -29.17 56.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.906 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -73.48 -33.52 64.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.925 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -39.76 78.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.926 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -31.98 61.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 74.21 110.919 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.39 -31.26 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.35 110.897 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.6 -46.48 67.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 72.1 110.909 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.31 76.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 72.34 111.049 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.34 -26.09 55.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 75.54 111.138 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -47.21 87.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 73.11 110.933 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -59.15 -33.16 70.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 55.32 110.919 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.09 -32.99 74.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 71.42 111.085 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -72.53 -33.29 66.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 73.02 110.859 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.92 -31.91 45.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.839 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.31 -31.04 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 75.3 110.904 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -33.36 68.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.894 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -40.61 89.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 74.52 110.883 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.46 -44.62 64.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 75.0 110.941 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.71 -27.66 29.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 72.45 111.135 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.36 -48.41 73.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.889 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.51 -29.28 52.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.22 110.878 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -65.62 -38.8 90.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.55 110.886 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.932 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 71.44 110.827 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -133.26 164.0 28.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.41 -27.42 9.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 75.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp -73.38 -26.34 60.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.883 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -54.09 50.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 75.22 110.882 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -72.43 -28.47 62.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 44.31 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -56.91 8.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 74.1 110.923 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.33 -47.05 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.16 -32.1 61.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 73.01 111.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -72.6 -39.97 66.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 75.34 110.933 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -60.54 -31.14 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 70.12 110.963 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.93 -33.39 74.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 75.33 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -70.93 -31.5 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.911 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -42.93 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 74.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -61.53 -47.34 86.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.55 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -27.26 67.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.941 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -50.65 73.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.868 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.59 -31.15 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 72.22 110.935 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.32 90.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 63.23 111.085 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.69 -43.36 89.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 71.23 110.894 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -31.65 71.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 62.11 110.817 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.99 -32.21 66.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 72.2 111.103 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.13 -31.19 61.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.44 111.079 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -73.5 -32.2 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.905 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -31.31 61.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 73.32 110.908 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -29.64 61.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.969 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -92.15 -26.98 17.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 75.41 110.832 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.8 -59.96 0.4 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 63.4 112.554 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.96 -41.7 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.815 -0.707 . . . . 71.3 112.565 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.35 49.94 0.89 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.692 -0.766 . . . . 64.33 112.453 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.0 -175.54 42.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 74.11 112.458 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.03 -66.65 0.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.801 -0.714 . . . . 54.0 112.53 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.08 -90.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.717 . . . . 53.43 112.469 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -108.07 67.06 0.23 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 72.33 112.44 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.86 74.14 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.736 . . . . 63.44 112.541 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -70.03 -32.31 70.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 74.04 110.89 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 mt -54.66 -32.15 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.024 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.0 ttm -75.1 -29.9 60.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 62.34 110.895 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -74.85 -34.48 62.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 74.44 110.915 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -43.45 98.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.54 110.855 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -47.07 69.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 73.14 110.856 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.12 -31.45 67.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 75.32 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.85 -38.89 76.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 63.45 110.862 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.42 85.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.42 111.09 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.05 -28.91 67.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 74.32 111.068 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -65.22 -33.26 75.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.872 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -37.62 86.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 70.0 110.96 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.79 -28.93 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 75.13 111.151 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.81 -33.22 62.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 72.23 110.943 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -74.42 -31.71 62.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 63.32 110.851 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.51 -34.67 63.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.915 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.78 -33.31 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.35 110.9 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -45.39 93.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 74.32 110.874 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.03 -47.77 27.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 73.12 110.887 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.3 -25.1 58.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.51 111.092 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.19 -52.08 65.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 75.24 110.843 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.59 -26.77 60.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 71.05 110.903 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -67.34 -33.05 74.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.871 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.2 mp -99.27 -25.89 14.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 75.33 110.896 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -99.64 97.77 8.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 75.34 110.891 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -65.88 126.59 28.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.909 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.15 110.918 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ptt? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.8 0.333 . . . . 71.01 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt 63.15 162.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 73.52 110.908 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -149.92 -46.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.409 . . . . 73.13 110.92 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.07 -37.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 75.23 110.908 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.5 -56.23 16.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.848 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.83 -34.29 77.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.885 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -62.57 -34.22 76.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 74.13 110.85 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -54.35 42.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.54 111.049 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.99 -33.56 52.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 73.41 111.111 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -31.95 59.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -31.35 72.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 74.51 110.918 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -55.6 -27.53 49.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.22 110.922 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.78 -32.45 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 73.15 110.887 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -51.99 -49.77 62.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.86 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -58.11 -54.08 51.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.892 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.17 -36.06 60.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 73.41 110.867 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -46.82 80.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 75.13 110.896 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.2 -26.88 60.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.918 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.81 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 73.22 111.126 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -64.78 -40.73 95.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.05 110.866 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.26 -32.52 73.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 72.23 110.884 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.78 -32.16 71.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 62.32 111.182 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -32.14 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.52 111.144 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -73.79 -32.49 63.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 75.23 110.865 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -31.98 60.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.958 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.38 -30.99 48.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 73.14 110.913 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -85.67 -26.72 25.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 64.03 110.89 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.52 51.62 57.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 53.43 112.438 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.69 -56.25 0.47 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 64.32 112.437 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.82 167.67 38.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 62.13 112.502 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.11 -101.18 0.2 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 71.01 112.512 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.58 129.54 5.34 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.745 . . . . 54.3 112.514 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.92 54.2 36.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 75.25 112.509 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.32 -119.52 7.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.795 -0.717 . . . . 63.43 112.505 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.54 103.84 2.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 72.15 112.426 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -83.15 -27.85 29.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.948 0.404 . . . . 73.43 110.878 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -51.9 -36.01 47.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.871 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.5 ptm -75.88 -30.68 58.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 75.42 110.862 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -77.12 -29.57 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.878 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 tt -73.32 -37.01 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 75.23 110.924 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 51.9 t -69.49 -30.14 67.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 71.42 110.831 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.28 -35.21 63.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 70.0 110.929 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.88 -45.32 71.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.846 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.04 -48.12 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 54.45 111.116 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.18 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 75.41 111.077 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -36.95 83.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -41.02 96.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 72.25 110.823 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.2 86.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 63.21 111.143 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.65 -33.28 73.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 71.45 110.886 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -74.38 -26.87 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.15 110.886 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -30.41 66.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 72.32 110.954 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.91 -33.22 49.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 74.31 110.88 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -43.0 82.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.843 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.02 -37.24 67.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.5 -28.71 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 60.22 111.103 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -41.75 89.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.876 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.88 -26.45 54.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.894 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -74.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 75.55 110.823 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 56.7 mt -52.74 -37.31 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.12 99.19 7.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 73.02 110.869 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -63.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.907 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 74.24 110.948 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ttm . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.797 0.332 . . . . 75.32 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -120.04 136.8 54.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 75.42 110.903 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -116.63 -27.38 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.15 110.856 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp -59.78 -32.96 71.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.51 110.875 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -35.28 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 75.44 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -32.31 73.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -65.16 -33.33 75.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.847 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.92 -53.06 45.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.3 111.1 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.86 -31.09 62.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 65.31 111.1 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.73 -41.75 52.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.923 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.53 -31.09 70.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 75.11 110.874 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -58.45 -34.71 71.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 70.31 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -34.95 73.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 55.45 110.898 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.57 -48.08 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 73.55 110.907 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -55.57 -48.51 74.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.51 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -28.27 68.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.898 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -61.68 -46.48 89.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.02 110.849 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.8 mt -74.62 -31.03 61.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.443 . . . . 72.41 110.916 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.03 -41.62 99.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 71.11 111.131 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.77 -40.97 96.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.897 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -31.28 70.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.31 -32.25 71.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 73.1 111.09 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.5 71.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 65.01 111.056 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -66.6 -37.06 84.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 74.12 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -34.53 77.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.879 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mt -67.4 -41.52 84.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.901 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -98.63 18.3 17.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.867 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.63 -60.47 4.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 33.55 112.522 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.88 -49.71 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 62.34 112.486 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.12 54.22 0.79 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 34.13 112.463 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.32 -161.46 50.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 72.34 112.429 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.44 119.21 3.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 74.3 112.453 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.5 95.15 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.771 -0.728 . . . . 73.11 112.49 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.98 -127.03 7.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 63.02 112.482 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.93 -48.26 0.97 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 73.11 112.491 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.83 -31.3 68.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 75.32 110.884 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mt -55.29 -30.3 59.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.916 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.5 ttp -76.39 -32.93 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 73.51 110.895 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -75.4 -33.94 61.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.945 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -49.27 75.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.916 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.8 m -70.61 -46.46 63.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.05 110.871 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.36 -31.04 63.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.23 110.889 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.57 -44.3 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.854 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.37 97.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.22 111.128 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.11 -25.23 63.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 72.54 111.185 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -65.75 -40.46 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.51 110.919 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -26.81 68.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 75.24 110.952 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.85 -38.34 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.134 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.53 -33.28 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 75.31 110.91 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.74 -32.58 63.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 75.44 110.89 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.38 -29.3 62.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.95 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.87 -33.23 66.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.902 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -47.12 87.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 51.35 110.902 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -33.63 52.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.25 110.907 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.09 -29.97 70.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 72.41 111.042 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -47.34 71.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.11 110.89 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -27.05 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 62.3 110.851 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -81.63 -74.78 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 72.5 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.8 mp -52.95 -39.2 62.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 72.55 110.903 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.19 171.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 73.3 110.917 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.91 146.3 31.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.848 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 71.02 110.85 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.817 0.342 . . . . 73.22 110.814 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 mttt 62.13 19.25 10.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.934 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -108.56 -30.68 8.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.856 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -174.52 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.906 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -49.97 73.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.877 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 73.34 110.854 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -60.16 -40.94 91.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.14 110.851 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -54.08 45.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.01 111.095 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.04 -30.7 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 64.34 111.095 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 -40.0 63.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 75.43 110.831 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -31.74 71.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 72.42 110.92 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -55.28 -37.5 67.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 75.44 110.89 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -31.34 71.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 71.51 110.855 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -52.05 -39.75 60.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 72.44 110.891 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -58.51 -47.46 84.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 73.34 110.896 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -64.03 -28.53 69.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.3 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -49.6 76.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 74.43 110.851 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.93 -32.12 61.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 75.43 110.912 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.32 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 75.1 111.098 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.41 -38.27 89.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.874 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.19 -34.28 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 72.12 110.947 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.86 70.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 61.43 111.093 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.08 -31.39 64.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 71.12 111.045 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.51 -32.09 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 73.03 110.86 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.98 -31.72 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.927 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 40.2 mt -78.18 -26.31 47.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 75.13 110.922 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -79.1 -31.18 44.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.874 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.87 25.34 73.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 64.42 112.45 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 133.22 -42.89 1.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.828 -0.701 . . . . 65.25 112.502 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.08 173.22 8.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.72 . . . . 44.32 112.509 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -163.98 142.47 7.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 74.21 112.443 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.22 -62.43 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 71.13 112.467 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.8 76.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 72.42 112.493 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.71 -31.86 5.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.864 -0.684 . . . . 63.24 112.49 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.38 175.07 21.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 74.43 112.494 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -76.83 -32.66 57.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 75.23 110.863 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.67 -31.86 58.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 74.52 110.928 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -30.69 57.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 74.31 110.864 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -76.12 -34.0 59.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 74.31 110.843 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.47 -42.71 96.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 75.24 110.876 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 2.6 m -69.92 -49.58 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.916 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.92 -30.77 69.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.94 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -49.1 64.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 74.12 110.872 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.5 76.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.41 111.092 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.37 -30.83 68.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 65.33 111.081 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -34.19 77.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 74.31 110.874 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -38.66 88.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 73.22 110.889 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.2 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 74.23 111.136 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.28 -33.29 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 75.43 110.935 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -80.85 -32.23 35.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 71.2 110.857 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -33.21 67.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 74.51 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -33.36 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 70.44 110.822 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -63.42 -38.86 92.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.911 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 mp -77.61 -49.49 14.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.96 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.82 -31.14 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 70.35 111.036 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.95 -35.52 59.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.914 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.72 -26.28 60.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.908 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -91.37 -34.55 14.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.898 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 72.0 mt -95.6 25.16 4.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.938 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.7 116.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 73.11 110.936 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.2 -55.64 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 75.41 110.884 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.895 0.378 . . . . 75.43 110.918 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -142.28 139.91 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 74.0 110.8 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.51 -42.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 73.43 110.95 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.94 -32.32 12.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.93 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -57.15 11.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.908 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -39.77 79.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 64.53 110.891 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.23 -41.55 99.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.22 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 60.43 111.104 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.65 -34.42 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -33.74 58.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 73.32 110.926 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.88 -29.03 54.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.91 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.4 -28.21 52.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 71.03 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 74.3 110.905 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -52.02 -51.71 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.921 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -55.42 -54.44 43.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 75.33 110.936 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -56.33 -31.72 63.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 74.21 110.916 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -54.43 -50.47 67.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.917 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -31.05 59.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.886 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.71 98.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 43.44 111.095 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.32 -38.47 84.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 75.4 110.84 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.25 -31.14 68.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 73.3 110.895 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -32.47 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 74.41 111.139 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.6 -30.89 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.51 111.115 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -64.4 -32.35 73.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 73.45 110.893 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -75.07 -30.95 61.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 75.45 110.891 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.3 -25.53 51.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.912 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -96.24 -25.6 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.11 110.906 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.18 -60.07 8.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 73.13 112.484 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.08 -28.24 53.39 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 63.31 112.531 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 173.96 95.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.736 . . . . 74.34 112.468 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.6 64.65 0.37 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 73.34 112.465 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -128.63 19.77 5.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 73.34 112.47 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.08 -49.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 63.31 112.5 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.81 19.36 21.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 72.14 112.562 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.82 66.13 3.11 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 61.53 112.485 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -53.38 -28.42 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 75.12 110.922 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.9 mt -51.9 -30.05 22.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 73.32 110.927 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.0 ptp -53.75 -32.03 50.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 75.22 110.833 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -77.02 -33.27 57.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 70.43 110.895 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -44.27 79.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 75.23 110.851 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -46.07 33.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 63.23 110.862 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.04 -44.42 78.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.968 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -48.03 64.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 73.3 110.885 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.13 71.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 61.34 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.26 -25.71 55.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 75.15 111.069 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -63.33 -49.95 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 70.03 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -42.1 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 74.43 110.826 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.05 73.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 72.44 111.019 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.55 -33.27 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.938 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -73.98 -29.83 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 75.45 110.854 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.0 tp -69.62 -29.07 66.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 75.55 110.926 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -33.3 67.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.926 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -59.93 -38.14 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 73.22 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -48.49 49.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.916 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.38 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 53.32 111.107 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -69.89 -40.18 75.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 62.31 110.852 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.59 -28.43 56.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 72.14 110.866 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -74.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.841 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.09 -39.08 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.9 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -114.9 172.79 6.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.872 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -149.76 178.04 9.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.885 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.943 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.1 mmt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.805 0.336 . . . . 74.43 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -65.41 143.64 57.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 75.33 110.951 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -28.09 25.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 73.14 110.868 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.02 -32.83 70.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 71.31 110.877 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -70.5 -43.29 70.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.905 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.1 -44.35 91.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.903 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -77.72 -33.81 52.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 74.12 110.965 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.71 -49.81 61.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 71.32 111.082 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.3 -30.72 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 73.12 111.105 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -74.43 -33.44 62.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.45 110.899 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.33 -31.14 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 73.31 110.902 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -57.94 -29.95 65.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.799 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.52 -31.31 69.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 75.22 110.968 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -52.25 -44.97 65.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 75.54 110.912 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -56.83 -49.22 76.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.898 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -26.26 65.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 74.31 110.915 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.63 -46.05 90.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 73.02 110.918 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -75.07 -32.44 61.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 72.13 110.903 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.87 95.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 71.22 111.095 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -42.87 91.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 70.44 110.878 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.28 -31.1 71.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.872 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.98 69.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 64.45 111.041 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.91 -32.08 43.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 63.13 111.106 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -73.7 -32.71 64.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 75.53 110.808 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.26 -32.28 62.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.283 -0.417 . . . . 74.42 110.895 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 tt -76.94 -26.14 53.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.969 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.29 -26.31 52.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 64.21 110.908 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.08 -29.55 56.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 45.12 112.422 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.9 52.47 0.63 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.82 -0.705 . . . . 70.14 112.477 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.4 -122.14 0.67 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.745 -0.741 . . . . 72.11 112.47 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.93 115.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.832 -0.699 . . . . 65.32 112.474 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.12 109.8 0.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 61.35 112.555 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.99 90.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.711 -0.757 . . . . 64.43 112.545 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.28 -170.19 26.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 44.42 112.473 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.4 79.76 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.766 -0.73 . . . . 75.15 112.471 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -64.73 -32.29 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 72.5 110.905 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mt -53.9 -30.55 46.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 65.31 110.909 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 26.9 mtm -75.15 -31.97 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.868 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -76.78 -29.79 56.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 72.42 110.854 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.99 -49.72 74.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 71.11 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.14 -41.17 82.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.903 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -62.86 -33.65 75.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 64.34 110.877 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.26 -41.78 76.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 73.14 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.52 -34.92 76.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 63.51 111.099 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.52 -25.85 62.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 53.42 111.106 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -32.07 73.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.911 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -36.58 79.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.955 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.99 -43.94 94.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.5 111.107 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -33.23 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.855 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -82.03 -32.05 30.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.873 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 -29.37 63.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.925 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -33.44 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 65.42 110.963 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -41.5 89.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 73.34 110.883 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.82 -43.7 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 64.43 110.879 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.4 -32.1 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 71.41 111.11 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.04 -33.79 59.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 64.12 110.862 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.79 -26.29 54.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 74.34 110.88 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 -91.34 -34.71 14.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.04 110.84 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.4 mt -95.66 25.23 4.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.921 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.07 103.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 75.4 110.893 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.94 62.16 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 73.41 110.822 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 71.1 110.952 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.914 0.388 . . . . 74.44 110.83 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.04 152.75 21.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 71.42 110.893 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.63 -32.48 4.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 74.31 110.888 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -101.88 28.11 5.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.909 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -71.6 -51.87 21.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 72.44 110.914 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.87 -40.67 89.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 52.35 110.921 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.7 -55.11 39.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 70.15 110.91 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.67 -40.43 96.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 75.43 111.045 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -30.82 71.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 75.13 111.095 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -32.37 60.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.879 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -30.75 34.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.874 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.62 -30.34 65.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.846 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.62 -34.91 76.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.838 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.42 -50.05 63.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.04 110.877 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.0 m0 -52.48 -46.33 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.53 110.922 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 -33.4 75.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 74.45 110.831 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -46.28 78.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 73.42 110.966 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.3 mt -75.48 -31.65 60.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.889 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.91 97.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 73.52 111.074 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.57 -34.13 75.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -31.0 64.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.915 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.96 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 74.24 111.1 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.4 -31.93 58.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 72.33 111.119 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.61 -32.58 64.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.32 110.91 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -32.44 68.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.907 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 tp -78.94 -27.58 43.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 64.11 110.916 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -79.92 -26.2 40.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 75.4 110.926 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.51 -56.2 0.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 61.05 112.519 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.92 -40.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 55.3 112.504 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.67 -173.38 36.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 44.53 112.544 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.42 149.79 19.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 74.15 112.471 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.24 -150.87 9.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 55.32 112.522 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.36 160.54 22.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.799 -0.715 . . . . 73.12 112.457 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.86 -54.26 2.26 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.779 -0.724 . . . . 65.32 112.485 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -53.37 109.98 1.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.821 -0.704 . . . . 64.31 112.445 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -79.19 -30.9 43.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 73.35 110.838 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.1 mt -51.97 -29.52 20.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 75.15 110.913 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.61 -35.96 60.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.53 110.952 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -71.36 -32.97 69.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.959 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.63 -51.19 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.944 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.1 m -75.44 -31.53 60.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.14 110.892 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.94 -30.97 71.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 73.31 110.795 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.61 -48.32 75.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 72.41 110.879 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.71 -40.8 84.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 75.41 111.125 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.53 -26.67 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 54.42 111.132 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -38.8 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.858 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -59.97 -42.12 93.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 71.21 110.873 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.77 -33.91 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 74.14 111.069 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.76 -33.32 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 75.42 110.858 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -80.05 -31.56 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 74.1 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -29.82 64.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 73.44 110.833 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -33.38 66.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.421 . . . . 72.5 110.893 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -62.45 -49.28 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.02 110.921 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -43.34 80.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 75.45 110.899 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.99 -25.09 42.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 72.1 111.112 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -60.14 -44.52 94.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.919 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -77.12 -26.23 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.841 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -69.15 -33.95 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 65.31 110.889 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -99.55 -25.3 14.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.9 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.09 162.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.51 110.875 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -60.62 117.83 5.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.13 110.907 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 64.22 110.923 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.853 0.359 . . . . 71.51 110.847 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -58.18 143.71 43.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 75.55 110.932 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.17 26.28 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 73.53 110.856 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 71.15 -68.62 0.21 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 62.42 110.901 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -53.3 -29.7 34.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.863 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.43 -40.94 85.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 71.02 110.908 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -44.36 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 71.34 110.872 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.39 83.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 70.13 111.083 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.76 -36.18 71.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 74.42 111.104 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -71.96 -32.81 67.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.51 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -31.56 53.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.83 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -57.26 -34.32 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.925 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.14 -32.02 66.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 75.32 110.917 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -40.18 63.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.495 . . . . 73.35 110.909 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -57.32 -50.46 72.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 74.34 110.919 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -26.38 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 71.12 110.941 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -49.83 76.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 74.3 110.871 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -30.15 60.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 71.31 110.925 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.1 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 74.53 111.055 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.21 -39.1 86.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 73.53 110.9 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -71.88 -31.0 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 72.15 110.902 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.62 -31.59 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 73.33 111.067 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.26 -32.52 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 72.34 111.141 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -68.69 -36.58 78.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 73.31 110.954 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.36 -34.72 77.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.857 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.46 -42.85 82.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.964 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.6 18.42 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.878 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.94 -26.57 67.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 65.24 112.468 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.84 24.55 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 70.25 112.484 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.28 -22.0 6.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 74.12 112.501 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.33 114.09 3.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 53.41 112.517 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.56 80.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.768 . . . . 74.13 112.402 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.9 53.76 2.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 73.22 112.413 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.45 -108.44 0.88 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.762 -0.732 . . . . 62.21 112.487 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.45 68.23 0.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 70.32 112.469 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -78.14 -30.85 49.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 74.0 110.928 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mp -52.02 -29.45 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.22 110.926 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 12.9 mtt -75.2 -35.99 61.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.95 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.59 -33.24 70.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.35 110.894 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.71 -35.03 74.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.91 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -74.34 -44.3 53.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 73.24 110.881 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -65.21 -29.85 70.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.83 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.8 -49.61 75.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 75.2 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -40.26 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 72.22 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.56 -28.19 62.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 75.4 111.076 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -36.24 83.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 64.54 110.93 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -59.33 -35.05 73.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 73.24 110.941 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -32.51 73.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 75.14 111.131 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -71.85 -33.41 68.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 72.01 110.84 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -80.13 -30.98 39.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 72.43 110.883 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 mt -74.25 -31.48 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.933 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -33.28 74.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 75.43 110.879 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -63.67 -41.97 98.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.22 110.884 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.22 -45.63 25.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 75.01 110.885 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.15 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 74.23 111.077 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -56.12 -50.98 69.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 72.33 110.908 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -77.55 -26.41 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 63.21 110.898 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 11.0 mmp_? -66.2 -36.78 83.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 72.32 110.924 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 mp -123.23 24.21 8.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 65.43 110.889 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.96 124.45 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 74.15 110.886 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -51.91 -46.31 64.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.867 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.857 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ptt? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 75.33 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.66 -46.33 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 63.33 110.907 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -112.97 21.24 15.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 65.53 110.937 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 71.45 -67.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 75.42 110.949 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -51.86 -32.35 31.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 74.11 110.917 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -54.74 -49.82 69.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 73.34 110.905 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -71.85 -36.16 70.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 73.14 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -34.71 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.43 111.188 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.27 -32.51 70.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 65.43 111.126 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -73.16 -32.66 65.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 mt -53.63 -32.59 51.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.903 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.92 -29.5 69.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 71.2 110.84 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -33.22 67.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.923 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -53.64 -46.16 70.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 64.24 110.912 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.06 -50.43 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 74.35 110.938 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -58.74 -32.83 69.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 75.43 110.929 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -51.27 66.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.911 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.23 -28.97 62.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 74.31 110.821 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.41 89.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 62.21 111.062 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.53 -45.87 85.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 71.1 110.892 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -66.35 -31.07 71.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 72.34 110.872 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.96 -31.18 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 70.35 111.107 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.19 -32.42 71.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 74.33 111.111 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -65.87 -40.7 91.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 73.35 110.947 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -35.9 82.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.941 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.58 -37.9 83.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.948 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -98.59 16.51 21.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 63.21 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.61 -30.53 76.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 61.41 112.49 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.74 -19.6 10.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 73.44 112.48 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.62 -159.07 10.92 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.698 -0.763 . . . . 71.01 112.445 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.68 -160.6 25.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 73.44 112.491 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.12 -34.4 5.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 60.24 112.504 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.34 78.61 0.38 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 70.21 112.487 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.64 107.59 0.31 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.73 -0.748 . . . . 63.32 112.492 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.28 124.77 0.73 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 71.33 112.468 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -73.03 -32.03 64.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.936 0.398 . . . . 73.25 110.973 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.16 -31.57 52.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 74.01 110.951 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.2 mtt -69.8 -32.71 71.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 74.24 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -42.58 54.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 72.25 110.897 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.63 -30.48 67.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 70.44 110.915 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.51 -49.07 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.846 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 70.3 110.848 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.74 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.863 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.95 -49.49 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 61.14 111.126 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.47 66.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 73.11 111.129 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -62.49 -41.96 99.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 72.5 110.914 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -57.06 -29.52 63.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.849 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.87 -41.6 82.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.119 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -33.37 70.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 74.33 110.953 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.3 -31.91 69.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 74.3 110.932 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mt -72.01 -29.01 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.957 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -33.37 57.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.853 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -59.65 -51.26 70.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 73.21 110.904 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -40.06 69.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 71.32 110.864 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.94 -30.72 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.33 111.076 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.92 -48.92 74.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.11 110.889 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.38 -28.45 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 74.2 110.909 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -75.77 -74.78 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 74.03 110.915 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.5 mt -55.64 -27.14 48.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 75.3 110.916 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.3 mttp 56.45 82.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.15 110.948 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -59.45 132.76 54.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.907 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 64.22 110.944 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.862 0.363 . . . . 75.21 110.908 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.16 162.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.3 110.812 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.17 -42.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 72.34 110.94 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.17 -33.59 15.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.943 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -66.86 -40.69 87.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 74.45 110.876 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -69.65 -30.96 68.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.885 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.38 -52.81 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 75.35 110.899 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.2 -47.64 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 71.41 111.066 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.74 60.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 72.14 111.052 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.9 -37.71 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 72.44 110.932 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.6 mt -56.8 -32.67 65.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.85 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -61.89 -37.14 83.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 65.52 110.855 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.63 -32.55 74.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 61.44 110.957 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -53.57 -44.59 69.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 75.5 110.844 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -56.61 -46.56 80.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 75.31 110.873 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -60.77 -29.02 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 74.5 110.9 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -60.11 -51.01 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 73.24 110.825 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 74.1 mt -69.78 -31.64 69.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.272 -0.422 . . . . 73.23 110.929 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.61 -44.7 93.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 74.43 111.071 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.71 -43.27 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 65.44 110.879 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 63.22 110.841 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.36 -31.61 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.32 111.062 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.1 -30.41 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 70.35 111.067 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -71.35 -31.76 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 75.03 110.921 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -31.87 64.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.966 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.54 -27.76 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.932 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.73 -27.68 44.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.832 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.32 -24.6 59.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 71.11 112.465 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.72 74.35 0.99 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 64.33 112.485 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.97 -142.33 16.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 61.12 112.531 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.01 85.54 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 73.55 112.476 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.09 -152.15 24.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.657 -0.783 . . . . 73.31 112.477 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.58 -20.84 78.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.712 . . . . 63.03 112.501 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.15 -79.21 1.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 51.15 112.485 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.38 71.86 1.27 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 73.14 112.478 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.57 -28.32 62.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.903 0.382 . . . . 75.12 110.952 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.06 -29.39 68.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 75.21 110.907 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 30.3 mtt -68.97 -44.59 72.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.52 110.838 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.01 -29.59 55.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.91 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.17 -47.53 78.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.895 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -39.15 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 62.45 110.864 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.18 -30.3 71.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.856 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -37.74 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.857 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.42 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.53 111.138 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.0 -26.98 65.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 73.34 111.085 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -60.64 -39.92 90.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 72.23 110.844 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -33.36 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 70.45 110.865 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 75.13 111.055 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.44 -33.3 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 75.54 110.87 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -71.21 -29.69 65.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 74.11 110.917 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.59 -28.6 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.2 110.912 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -33.33 64.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.874 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -46.82 88.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 70.12 110.921 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -38.91 48.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.841 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.84 -27.32 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 54.43 111.141 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -63.52 -44.21 94.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 74.15 110.852 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.43 -27.03 52.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.872 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 43.5 mmt-85 -69.34 -33.04 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.867 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.1 mp -99.31 -25.9 14.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 71.03 110.916 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -118.29 107.81 14.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.868 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -98.32 -70.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.882 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 72.5 110.869 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.838 0.351 . . . . 73.54 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.47 138.19 58.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 65.13 110.875 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.28 26.03 10.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 73.55 110.921 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 71.16 -68.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 70.2 110.988 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -52.3 -39.86 61.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -68.58 -35.28 77.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.45 110.903 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -33.87 63.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.91 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.93 -43.84 63.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 75.21 111.127 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.62 -34.87 76.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 71.11 111.055 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -32.15 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 72.03 110.899 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.12 -30.57 49.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 71.4 110.885 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.4 -28.65 55.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.91 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -33.14 68.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.891 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.24 -45.42 65.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 72.41 110.884 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -59.19 -50.53 73.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 74.24 110.858 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -52.44 -29.59 25.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 74.34 110.878 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -55.09 -51.43 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 71.3 110.883 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.2 mt -74.51 -32.59 62.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 74.43 110.896 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.96 99.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.104 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.3 -37.22 83.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 72.35 110.87 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -32.34 70.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.882 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.78 -30.87 69.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 74.33 111.112 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.98 -32.46 57.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.41 111.128 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -33.25 68.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 75.11 110.848 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -30.93 60.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 72.14 110.892 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp -79.31 -26.54 42.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 72.32 110.846 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -94.11 -25.98 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 72.22 110.912 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.31 -53.54 0.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 74.23 112.471 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.97 -64.16 0.19 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 74.13 112.467 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.32 90.44 1.18 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.735 . . . . 74.41 112.541 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -136.3 167.73 24.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 75.1 112.556 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.27 105.21 0.25 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.803 -0.713 . . . . 72.12 112.549 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.7 76.93 0.96 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 73.12 112.541 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.68 62.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 64.01 112.447 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -179.49 131.17 1.63 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 51.43 112.509 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -83.2 -47.02 12.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 72.32 110.868 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mp -55.34 -33.79 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.917 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.4 ptm -76.5 -28.44 56.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 75.53 110.876 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -32.77 57.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 73.3 110.857 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -35.46 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 75.42 110.917 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -42.38 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 71.52 110.883 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.58 -30.03 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.88 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.09 -46.17 85.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 72.51 110.833 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.96 96.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.33 111.121 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -28.39 66.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 72.33 111.074 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -63.3 -29.33 70.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 72.12 110.904 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -61.61 -32.68 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.896 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.14 67.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 63.35 111.108 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.93 -33.4 68.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.89 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -79.18 -28.92 42.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 75.42 110.937 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.6 mt -73.82 -28.56 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 73.04 110.925 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -33.34 70.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.912 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -48.3 81.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 64.31 110.91 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.78 -25.77 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.916 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.66 67.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 73.12 111.082 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.11 -31.42 58.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 73.02 110.866 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.8 -22.54 49.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 72.22 110.921 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -71.26 -76.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 75.51 110.864 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.5 12.68 9.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 64.51 110.973 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt 51.87 -169.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 72.45 110.854 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -116.3 -45.92 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.839 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 73.14 110.868 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.798 0.332 . . . . 72.21 110.839 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -76.43 158.89 30.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 73.43 110.898 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.51 28.17 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.42 110.941 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mp -143.9 -55.31 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.973 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -51.84 61.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 75.32 110.893 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.02 -31.63 71.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.901 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -45.41 68.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 54.1 110.834 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.7 -52.15 64.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 70.2 111.11 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.93 -29.24 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 71.24 111.075 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.63 -33.02 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 75.51 110.986 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -31.14 71.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 75.42 110.847 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -55.92 -39.31 71.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 75.22 110.868 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -73.16 -35.62 66.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 74.33 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -25.29 33.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 71.15 110.847 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -59.64 -41.49 90.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 74.51 110.98 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -67.14 -21.56 65.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.951 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -50.67 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.904 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.5 -32.84 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.897 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.21 -44.49 95.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 64.1 111.092 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -68.72 -31.86 71.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 75.25 110.837 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.65 -31.84 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.875 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.72 -30.94 67.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 75.03 111.102 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.17 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 72.33 111.106 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -64.45 -33.58 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 72.12 110.905 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.5 -30.87 61.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.896 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mp -75.95 -25.68 56.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.43 110.895 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -96.55 -25.92 15.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 74.43 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.82 -23.12 55.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 71.31 112.475 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.35 -26.13 40.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.669 -0.777 . . . . 74.33 112.463 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.54 88.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 63.13 112.502 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.43 62.24 0.11 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.72 . . . . 74.0 112.562 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.27 -93.22 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 75.35 112.453 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.31 -71.78 0.91 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.657 -0.782 . . . . 70.4 112.465 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.91 91.18 1.49 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 63.04 112.474 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.96 102.35 0.31 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 71.14 112.475 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -70.42 -28.34 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 75.14 110.845 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 41.4 mt -59.99 -29.53 68.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.868 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -68.87 -44.79 72.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.55 110.823 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -77.03 -29.78 55.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 73.02 110.891 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -39.2 81.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.86 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.07 -50.38 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 75.15 110.913 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.09 -29.88 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.25 110.969 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.49 -31.95 56.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 65.22 110.884 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.23 -40.87 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 73.44 111.096 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.27 57.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 74.03 111.108 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -54.72 -47.07 74.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 72.44 110.899 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -55.78 -32.73 63.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.952 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.23 -26.76 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.106 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.68 -33.26 62.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.88 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.12 -33.94 29.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -28.91 59.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 64.43 110.986 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -33.4 46.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.811 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -51.55 69.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 71.42 110.936 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.5 mt -77.75 -26.1 49.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.935 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.17 65.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 73.54 111.05 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -74.47 -52.33 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.856 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.54 -22.59 66.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.13 -0.486 . . . . 72.24 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 72.11 110.902 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.02 30.5 7.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 73.43 110.9 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.99 47.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 75.43 110.883 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -69.63 162.39 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 72.05 110.923 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 73.34 110.942 179.914 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 73.44 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.07 123.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 72.11 110.955 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.8 -34.19 6.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.922 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -178.75 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.928 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -61.58 -57.04 13.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.1 110.877 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -26.23 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 73.13 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -65.28 -52.61 53.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.876 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.27 -48.97 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 70.44 111.132 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.64 -29.17 24.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 72.54 111.078 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -41.89 60.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 75.45 110.87 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 mp -55.05 -32.87 62.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 71.32 110.875 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -59.29 -46.08 89.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.34 110.906 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.04 -31.31 61.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 73.52 110.868 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -54.42 -26.05 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 61.25 110.858 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -58.48 -40.87 83.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.92 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -30.58 24.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.886 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -59.11 -51.45 69.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 72.12 110.846 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.49 -34.76 77.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 75.13 110.913 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.97 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 54.54 111.081 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -29.96 67.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 74.34 110.868 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -31.08 62.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 73.41 110.889 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.4 -33.13 71.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 64.53 111.092 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.34 -29.83 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 63.32 111.069 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -66.89 -31.24 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.22 110.91 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.69 -32.98 66.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 65.14 110.927 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.3 -36.63 46.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.951 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -25.78 33.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.852 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.72 -82.26 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.684 -0.77 . . . . 72.5 112.429 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.85 -55.88 0.04 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.732 -0.747 . . . . 63.12 112.446 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.34 86.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 54.21 112.486 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.23 69.14 1.26 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 42.32 112.501 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.1 -72.69 1.29 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.72 -0.753 . . . . 73.24 112.469 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.95 107.42 0.2 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 74.35 112.433 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.56 -124.2 7.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 64.1 112.487 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.57 101.43 0.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 75.13 112.503 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -77.39 -30.96 53.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.908 0.385 . . . . 74.12 110.921 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 tp -58.77 -29.57 66.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 74.03 110.924 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.5 ttm -51.94 -31.03 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 64.34 110.867 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -77.02 -55.6 5.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 64.15 110.903 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.72 -26.47 63.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 73.02 110.952 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.5 t -69.43 -40.75 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 65.05 110.916 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -41.41 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.09 -42.28 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 64.2 110.842 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.56 71.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 74.2 111.085 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.39 -25.27 54.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.111 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -73.04 -43.19 62.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.936 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -26.1 68.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.875 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.45 -46.46 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 72.2 111.148 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -33.27 62.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.946 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -70.29 -30.92 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 63.23 110.88 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -28.33 68.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.889 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -33.36 68.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.921 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -41.63 98.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.909 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -34.69 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 72.35 110.937 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.98 -25.28 68.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 72.22 111.042 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.13 -41.3 50.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 75.1 110.863 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -78.13 -21.53 50.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.43 110.871 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -98.77 -72.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 71.33 110.877 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.7 mt -89.04 47.6 1.52 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.934 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 177.9 34.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.02 110.877 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -56.26 -33.8 65.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 71.53 110.891 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 75.11 110.924 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.809 0.338 . . . . 75.02 110.886 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.65 146.72 13.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 75.34 110.89 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -112.61 21.74 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.861 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 71.47 -68.08 0.23 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 75.51 110.846 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -51.84 -33.52 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -57.91 -46.55 84.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 72.03 110.953 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -74.81 -30.87 61.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 73.23 110.888 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.98 -52.15 52.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 74.32 111.08 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -30.66 68.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 74.53 111.055 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -31.95 58.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 74.04 110.964 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.55 -33.07 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.923 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -59.27 -28.17 66.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 74.42 110.893 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -71.66 -31.15 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.52 110.95 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -51.98 -35.22 45.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 75.02 110.879 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -58.04 -41.58 83.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 75.42 110.893 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -58.9 -26.22 64.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 75.44 110.905 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -51.49 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 72.11 110.855 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -30.47 59.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 71.22 110.92 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.52 85.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 64.33 111.123 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.96 -36.37 81.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 75.32 110.937 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.23 -30.93 70.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 71.33 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.48 -30.72 57.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 61.44 111.06 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.38 65.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 74.31 111.08 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -31.2 62.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.946 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -41.47 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.35 110.891 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.6 -24.39 53.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 64.44 110.888 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.35 -26.33 28.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 65.4 110.956 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 132.31 -82.69 0.31 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.737 -0.744 . . . . 52.42 112.471 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.71 43.14 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 54.54 112.441 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.72 -67.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 52.33 112.437 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.6 136.05 7.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 75.34 112.429 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.78 76.19 1.1 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.718 -0.753 . . . . 54.31 112.566 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -157.58 -125.26 0.84 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 71.22 112.488 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.85 126.31 2.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.818 -0.706 . . . . 70.23 112.511 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.22 141.35 3.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 71.54 112.481 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -66.68 -32.74 74.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 75.01 110.857 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.65 -33.33 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.936 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 4.0 ttt -76.49 -32.48 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.33 110.869 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -76.7 -31.39 57.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 72.54 110.933 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -36.24 77.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.41 110.886 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 t -73.99 -46.12 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 70.21 110.871 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.61 -36.35 69.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 71.23 110.923 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.15 -35.0 75.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 65.42 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.26 -46.49 64.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 54.3 111.129 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.62 -25.04 62.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.105 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -63.2 -36.08 82.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -39.58 71.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.891 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.89 81.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 61.42 111.082 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -33.26 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 52.24 110.905 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -81.12 -30.58 34.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 72.22 110.867 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -29.57 60.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 75.33 110.947 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -33.3 63.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.92 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -60.97 -51.81 67.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 73.34 110.906 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.87 -35.03 67.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.45 110.962 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.65 -27.96 66.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.33 111.07 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.96 -35.43 59.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 71.24 110.883 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.9 -26.19 60.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -63.76 -30.49 71.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 73.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.36 11.27 10.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.922 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -60.58 133.38 56.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 72.3 110.886 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -55.76 164.72 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.911 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 64.04 110.928 179.915 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 70.44 110.876 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -167.76 -39.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.893 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -26.64 61.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 70.44 110.933 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pp -102.04 -26.22 13.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 74.25 110.981 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -62.13 -28.97 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.863 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -72.46 -41.1 66.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 75.23 110.892 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -73.26 -32.87 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 71.5 110.862 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.58 -43.32 60.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 63.14 111.093 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.94 85.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 71.33 111.105 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -72.7 -32.56 65.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.879 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.37 -30.58 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.918 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -55.25 -30.97 61.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.862 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -34.05 68.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.52 110.908 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.27 -41.27 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.913 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -57.78 -51.04 71.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 73.14 110.951 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -68.52 -28.35 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 73.02 110.922 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -55.45 -51.54 66.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 75.42 110.882 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.61 -32.69 60.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 75.35 110.93 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.66 99.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 75.42 111.141 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -63.52 -44.3 94.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.843 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.35 -32.03 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 75.15 110.858 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.26 73.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 53.22 111.128 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.61 -32.59 74.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.53 111.092 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -73.76 -32.78 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 73.22 110.975 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.58 -31.77 63.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.2 110.9 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 tt -77.23 -26.2 52.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.896 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -77.06 -26.99 54.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.881 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.27 26.92 16.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 73.33 112.451 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.83 34.42 65.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 64.51 112.467 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 164.82 -41.06 0.3 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 75.45 112.545 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.97 128.54 6.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.803 -0.713 . . . . 75.21 112.505 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.76 116.14 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 64.02 112.491 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.81 130.47 0.18 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.776 -0.726 . . . . 72.02 112.473 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.88 -149.13 19.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 75.42 112.489 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.63 -55.66 0.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.683 -0.77 . . . . 54.4 112.45 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -60.9 -32.91 72.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 74.11 110.846 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.66 -30.7 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.892 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.0 mtt -76.16 -32.79 59.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 62.2 110.869 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.64 -31.2 61.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 71.34 110.874 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -57.92 -49.0 78.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -37.04 70.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 71.22 110.873 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.96 -30.63 71.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.926 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -53.67 -44.92 70.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 74.11 110.906 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.24 -48.85 79.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 75.01 111.078 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.48 -26.82 68.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 70.43 111.039 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -36.99 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.55 110.95 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -30.87 70.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.25 110.874 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.47 65.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 71.01 111.051 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -71.13 -33.26 69.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 72.31 110.868 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -81.64 -32.73 31.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 73.33 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -30.78 71.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 73.02 110.916 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -33.31 72.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 60.54 110.878 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -69.6 -41.92 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.982 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.73 -37.58 65.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.35 110.932 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.97 -28.31 64.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 74.12 111.093 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -45.39 87.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 74.32 110.867 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -77.16 -26.95 53.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 75.25 110.857 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -74.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.92 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.19 -28.77 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.925 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.51 86.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 75.21 110.954 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -68.99 -27.05 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.975 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.931 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.799 0.333 . . . . 73.3 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -90.79 149.04 22.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 75.22 110.887 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -86.62 -34.96 19.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.898 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 pp -57.04 -29.0 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 71.13 110.917 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -52.88 63.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 75.53 110.914 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -72.34 -27.72 62.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.894 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -57.23 13.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.93 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.58 95.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 74.11 111.171 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.24 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 70.32 111.15 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -59.57 -40.03 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.53 110.948 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.87 -30.43 71.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.31 110.845 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -49.82 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.865 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -35.87 74.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 75.44 110.913 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -52.66 46.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 64.53 110.895 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.19 -44.34 22.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 75.11 110.899 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -29.46 25.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 73.41 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -77.77 -35.69 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 74.2 110.867 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.82 -33.16 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 74.24 111.012 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.33 -42.0 96.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 73.21 111.067 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.7 -30.13 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 62.13 110.872 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -74.83 -31.41 61.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 72.04 110.853 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.1 -30.85 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 64.04 111.124 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.1 -30.56 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 63.25 111.098 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -68.92 -32.6 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 72.43 110.909 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.46 -32.76 71.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 75.02 110.927 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -73.71 -38.51 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.904 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.45 -26.81 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.881 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.41 73.94 0.35 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.718 -0.753 . . . . 71.04 112.49 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.25 -33.27 3.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 74.43 112.483 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.09 88.47 1.99 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 62.33 112.469 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.5 -93.19 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 54.13 112.447 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.12 -125.93 0.48 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.767 -0.73 . . . . 71.54 112.473 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.16 49.95 47.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 74.25 112.472 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.92 -77.14 0.4 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 54.2 112.503 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.71 -71.23 0.24 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.73 -0.748 . . . . 74.31 112.475 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.01 -32.87 74.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.914 0.388 . . . . 75.35 110.927 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 46.1 mt -54.48 -30.72 54.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 73.51 110.887 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 25.3 ttp -75.34 -28.98 59.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.84 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -37.37 59.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 74.33 110.976 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -42.88 89.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 65.44 110.912 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -73.77 -40.71 63.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 63.44 110.88 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -66.0 -30.56 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 54.52 110.895 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.41 -40.89 62.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.923 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.0 -30.69 71.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 70.21 111.083 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.74 -30.8 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 63.15 111.118 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -56.15 -53.64 54.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 74.34 110.848 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -55.81 -26.08 44.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.917 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.6 -26.58 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 43.23 111.091 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -74.33 -33.16 63.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.69 -29.48 33.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.878 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mp -67.1 -46.29 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.846 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -33.27 63.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.52 110.882 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -40.63 94.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.89 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.43 -46.3 23.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 73.12 110.958 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 -31.1 64.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.096 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -69.42 -48.93 59.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.975 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -64.66 -26.28 68.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.839 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.11 -37.53 23.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 73.4 110.913 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 58.6 mt -98.59 24.42 7.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 74.05 110.952 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -68.56 -74.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.938 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 171.38 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 74.35 110.91 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 73.05 110.967 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.794 0.331 . . . . 75.44 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.51 -163.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 72.4 110.928 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.66 36.06 22.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.878 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.53 -26.78 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 73.41 110.908 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 mmt-85 -60.53 -56.09 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 71.33 110.883 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.38 -37.81 87.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 72.2 110.844 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.83 -30.66 69.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 72.11 110.865 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.9 -45.61 64.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 75.41 111.094 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.28 -45.78 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 74.52 111.084 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -75.96 -31.95 59.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.932 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.9 tp -53.2 -32.86 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 75.13 110.916 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -57.5 -27.33 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 75.41 110.868 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -65.47 -31.39 72.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.04 -47.91 64.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 73.31 110.903 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -55.54 -44.35 76.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 73.01 110.85 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -52.05 -31.88 32.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 71.31 110.926 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -53.99 -49.55 68.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 75.54 110.934 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.4 mt -75.57 -32.88 60.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 75.55 110.964 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.21 -42.58 99.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 74.25 111.137 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -38.71 87.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.898 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.45 -31.06 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 65.42 110.838 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.71 -32.15 71.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 70.41 111.096 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.55 -32.42 60.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 64.23 111.16 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -73.8 -31.33 63.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 64.03 110.947 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.82 -32.31 61.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 74.04 110.89 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -76.18 -35.89 58.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 73.44 110.895 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.81 -26.2 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 71.01 110.87 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.77 67.38 2.15 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.696 -0.764 . . . . 70.11 112.468 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.3 -33.44 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 74.34 112.431 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.14 88.83 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 73.45 112.535 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.84 -170.82 32.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.789 -0.72 . . . . 61.45 112.518 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.08 -121.24 0.65 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 61.01 112.408 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.69 138.09 17.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.667 -0.778 . . . . 74.24 112.535 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.55 53.33 39.47 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.666 -0.778 . . . . 55.23 112.414 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.93 103.26 2.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 61.34 112.503 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -62.71 -32.85 74.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 70.13 110.908 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.72 -30.65 61.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 74.24 110.985 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.6 mtm -76.34 -32.85 58.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.908 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -75.97 -29.64 58.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.913 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.22 -53.44 57.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 74.2 110.909 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.7 m -66.43 -38.09 86.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -62.74 -33.82 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 74.23 110.877 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.36 -44.01 97.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.9 -37.77 86.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.105 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.64 57.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 63.14 111.059 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.23 -31.01 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.874 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -28.3 68.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.877 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.96 -29.52 64.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 73.03 111.063 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.36 -33.23 63.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 73.22 110.853 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.5 -28.45 46.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.894 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -28.83 64.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.909 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.16 -33.36 57.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.923 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -62.44 -43.3 99.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 74.51 110.956 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.82 -46.89 20.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 73.01 110.936 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.86 -31.96 42.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.35 111.103 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -76.09 -33.75 59.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 73.13 110.847 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.77 -26.1 54.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 74.35 110.847 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -92.46 -35.41 13.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.24 110.87 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 68.7 mt -96.99 25.36 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 71.44 110.947 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.53 124.21 20.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 61.53 110.897 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.4 109.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 65.14 110.883 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.861 179.905 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.814 0.34 . . . . 74.51 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.33 19.27 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 73.24 110.975 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -82.28 -40.21 21.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.867 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.73 -26.27 61.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 74.44 110.885 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -64.07 -56.24 16.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.869 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.16 -31.17 67.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 72.44 110.843 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.59 -31.03 68.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.88 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -29.02 61.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 64.12 111.102 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.44 -28.72 21.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 73.55 111.144 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -58.82 -32.08 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 75.52 110.849 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.96 -32.86 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.907 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.93 -43.11 99.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.41 110.877 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.35 -31.32 62.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 70.11 110.888 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.17 -25.33 31.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.24 110.867 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -59.2 -41.21 88.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 65.3 110.885 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -19.74 60.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 65.11 110.921 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -49.01 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 65.53 110.929 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -75.53 -32.91 60.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.938 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.16 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 74.4 111.133 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -68.85 -38.17 79.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.899 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.5 -30.94 63.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 73.01 110.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.28 -30.78 57.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 72.33 111.019 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.72 -30.01 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 74.4 111.095 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -31.87 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.933 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.34 -31.44 60.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 70.1 110.931 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.93 -29.95 39.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.35 110.933 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.08 -26.27 20.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 74.15 110.913 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 52.31 66.57 2.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 54.12 112.476 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -167.21 26.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 74.24 112.529 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.03 -63.88 3.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.673 -0.775 . . . . 72.1 112.468 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.98 34.38 0.22 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.78 -0.724 . . . . 72.43 112.537 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.35 130.6 1.54 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.703 -0.76 . . . . 73.43 112.515 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.49 -157.53 15.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.813 -0.708 . . . . 64.3 112.54 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.95 93.02 0.17 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.718 -0.753 . . . . 64.32 112.403 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -152.09 148.89 20.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.822 -0.704 . . . . 71.04 112.576 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -65.73 -28.45 69.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 72.5 110.859 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.91 -29.55 68.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 75.34 110.971 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 38.3 ttm -68.91 -44.53 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 64.3 110.862 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -77.05 -29.65 55.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 75.14 110.865 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.01 -34.14 71.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 74.24 110.93 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 38.0 t -73.84 -45.1 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 74.21 110.886 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.19 -29.85 47.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.881 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -35.54 48.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.52 110.843 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -49.72 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 64.02 111.062 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.26 61.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 71.4 111.111 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.63 -51.94 67.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 74.1 110.851 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -51.92 -30.36 24.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.905 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.6 -36.33 70.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 75.41 111.074 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.25 -33.21 67.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.867 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -78.1 -32.17 50.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 73.23 110.888 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -28.47 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.943 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -33.26 48.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.88 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -51.21 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 54.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.9 -41.53 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 75.14 110.845 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.45 -29.14 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 75.54 111.094 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.49 -44.29 75.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 63.55 110.914 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.2 -25.46 66.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 72.32 110.897 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -88.27 -35.34 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 73.21 110.826 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.7 mp -95.85 24.37 5.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.33 110.912 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.17 -177.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 65.53 110.861 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -154.16 26.36 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.89 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 75.31 110.961 179.787 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.847 0.356 . . . . 75.12 110.866 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.12 148.61 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.919 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.63 -47.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 64.03 110.885 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 pp -98.93 -26.07 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 73.1 110.91 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -69.63 -54.97 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.42 110.86 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -54.45 -39.83 67.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.23 110.896 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -31.58 66.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 65.11 110.865 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.37 -49.46 76.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 55.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.01 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.3 111.121 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -34.93 72.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 75.01 110.876 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.91 -30.85 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 75.01 110.941 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -60.19 -27.45 67.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 71.3 110.872 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.69 -32.2 62.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 70.13 110.881 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -54.76 -37.62 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 63.51 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -64.86 -52.12 58.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 74.1 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -33.32 75.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 62.41 110.897 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.55 63.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.894 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.68 -26.12 57.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 75.12 110.917 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.79 91.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 63.53 111.079 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.64 -47.16 86.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.868 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.89 -30.95 71.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 75.2 110.925 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.15 -32.05 72.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 74.31 111.104 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.46 -29.8 70.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 64.12 111.056 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.0 -40.52 71.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 74.44 110.909 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -35.49 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.23 110.91 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.9 mt -68.14 -36.38 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.925 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.66 15.71 24.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.874 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.93 -68.7 1.53 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 73.23 112.475 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.28 19.57 53.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 41.05 112.458 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.77 100.43 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 74.43 112.447 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -160.51 74.75 0.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.771 -0.728 . . . . 70.24 112.518 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.07 37.96 0.69 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 71.24 112.495 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.41 -125.93 0.82 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.676 -0.773 . . . . 64.3 112.471 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.95 -35.51 61.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 55.31 112.477 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.36 34.38 87.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 74.32 112.456 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -61.35 -31.91 71.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 73.52 110.863 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.94 -30.5 64.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.927 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.1 mtt -74.07 -31.58 62.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.921 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -76.97 -32.57 57.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 74.44 110.906 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -48.6 78.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 75.4 110.9 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.52 -46.69 68.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 64.4 110.89 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.64 -45.04 81.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.45 110.881 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.14 -48.88 78.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.52 -38.98 67.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 63.32 111.073 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.79 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 64.15 111.102 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -37.59 88.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.23 110.897 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -32.97 68.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.25 110.878 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.48 69.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 65.02 111.12 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -33.34 74.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.889 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -77.47 -31.72 53.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 74.04 110.884 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -35.81 68.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 73.45 110.863 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -33.26 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.879 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -40.52 96.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.872 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.6 mp -77.1 -47.87 19.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 75.2 110.888 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.59 -27.45 49.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 75.21 111.138 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -76.12 -34.44 59.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -77.53 -26.33 50.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 63.24 110.914 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -86.79 -37.18 18.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 75.53 110.854 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.0 mt -101.37 24.38 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.32 110.949 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.25 132.84 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.15 110.949 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -79.19 -51.56 9.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.914 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 64.11 110.927 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.4 mtt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.817 0.342 . . . . 72.11 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -160.73 160.89 31.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 75.13 110.892 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 55.65 26.17 8.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.883 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.01 -27.07 26.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 74.35 110.942 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -35.33 75.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.25 110.863 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.88 -32.37 73.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 64.33 110.899 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -35.23 64.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 73.34 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.02 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 74.13 111.069 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.04 93.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 63.31 111.133 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -33.73 67.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 75.23 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.03 -37.93 55.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 70.2 110.837 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -38.23 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.03 110.919 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -37.21 86.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 74.14 110.883 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -51.6 -53.33 39.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 72.41 110.885 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -45.71 18.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 71.15 110.926 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -28.82 22.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.862 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -72.17 -43.62 64.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.878 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.4 -40.82 83.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 63.13 110.882 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.33 95.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 74.01 111.121 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -70.53 -29.92 66.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 73.14 110.873 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.43 -34.18 65.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.33 110.899 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.15 -32.27 72.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.24 111.103 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.01 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 63.54 111.102 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -74.01 -32.06 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.04 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.47 -32.34 60.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 72.34 110.964 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.76 -34.7 62.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.903 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -25.63 24.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.844 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.19 -27.89 24.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 62.42 112.484 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.19 -28.73 27.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 72.05 112.516 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 155.31 51.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 61.24 112.502 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.2 -59.62 0.98 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 63.4 112.491 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.82 -114.23 6.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 52.15 112.462 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.57 -30.88 62.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 71.12 112.488 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -169.45 160.41 33.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 65.14 112.514 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.89 152.74 20.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 44.33 112.492 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -82.95 -33.31 26.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.929 0.395 . . . . 74.33 110.899 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mt -57.49 -29.64 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 75.25 110.884 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 34.9 ttm -76.46 -29.17 56.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.906 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -73.48 -33.52 64.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.925 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -39.76 78.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.926 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -31.98 61.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 74.21 110.919 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.39 -31.26 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.35 110.897 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.6 -46.48 67.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 72.1 110.909 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.31 76.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 72.34 111.049 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.34 -26.09 55.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 75.54 111.138 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -47.21 87.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 73.11 110.933 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -59.15 -33.16 70.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 55.32 110.919 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.09 -32.99 74.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 71.42 111.085 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -72.53 -33.29 66.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 73.02 110.859 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.92 -31.91 45.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.839 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.31 -31.04 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 75.3 110.904 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -33.36 68.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.894 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -40.61 89.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 74.52 110.883 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.46 -44.62 64.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 75.0 110.941 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.71 -27.66 29.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 72.45 111.135 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.36 -48.41 73.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.889 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.51 -29.28 52.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.22 110.878 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -65.62 -38.8 90.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.55 110.886 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 16.5 mt -111.01 23.57 13.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.932 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.58 -172.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 71.5 110.865 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.11 163.74 39.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.894 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 72.31 110.928 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.78 0.324 . . . . 60.109999999999999 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.412 ' HG2' HD23 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -57.45 -54.09 50.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 75.219999999999999 110.882 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -72.43 -28.47 62.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 44.310000000000002 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.417 ' OE1' HD23 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.66 -56.91 8.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 74.099999999999994 110.923 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.33 -47.05 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.16 -32.1 61.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 73.010000000000005 111.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -72.6 -39.97 66.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 75.340000000000003 110.933 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.417 HD23 ' OE1' ' A' ' 7' ' ' GLU . 1.7 mm? -60.54 -31.14 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 64.409999999999997 110.963 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.93 -33.39 74.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 75.329999999999998 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -70.93 -31.5 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 73.310000000000002 110.911 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -42.93 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 74.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -61.53 -47.34 86.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 71.430000000000007 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -27.26 67.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 51.210000000000001 110.941 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -50.65 73.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.868 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.59 -31.15 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 64.329999999999998 110.935 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.32 90.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 63.229999999999997 111.085 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.69 -43.36 89.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 71.230000000000004 110.894 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -31.65 71.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 62.109999999999999 110.817 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.99 -32.21 66.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 111.103 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.13 -31.19 61.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 71.299999999999997 111.079 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -73.5 -32.2 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 74.120000000000005 110.905 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -31.31 61.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 54.100000000000001 110.908 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -29.64 61.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 74.239999999999995 110.969 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -92.15 -26.98 17.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 75.409999999999997 110.832 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 63.399999999999999 112.554 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.882 0.372 . . . . 74.040000000000006 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 mt -54.66 -32.15 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 74.430000000000007 111.024 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.0 ttm -75.1 -29.9 60.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 62.149999999999999 110.895 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -74.85 -34.48 62.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 72.010000000000005 110.915 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -43.45 98.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.519999999999996 110.855 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -47.07 69.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 73.140000000000001 110.856 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.12 -31.45 67.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 75.319999999999993 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.85 -38.89 76.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 61.329999999999998 110.862 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.42 85.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.420000000000002 111.09 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.05 -28.91 67.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 53.030000000000001 111.068 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -65.22 -33.26 75.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 72.129999999999995 110.872 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -37.62 86.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 70.0 110.96 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.79 -28.93 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 54.140000000000001 111.151 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.81 -33.22 62.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 70.129999999999995 110.943 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -74.42 -31.71 62.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 60.240000000000002 110.851 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.51 -34.67 63.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 74.340000000000003 110.915 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.78 -33.31 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.349999999999994 110.9 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -45.39 93.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 74.319999999999993 110.874 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.03 -47.77 27.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 73.120000000000005 110.887 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.3 -25.1 58.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.510000000000005 111.092 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.19 -52.08 65.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 72.299999999999997 110.843 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.59 -26.77 60.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 71.049999999999997 110.903 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -67.34 -33.05 74.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 110.871 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.052 HD11 HD11 ' B' ' 37' ' ' LEU . 8.2 mp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 75.329999999999998 110.896 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.818 0.342 . . . . 74.040000000000006 110.908 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.5 -56.23 16.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 73.329999999999998 110.848 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.83 -34.29 77.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 72.25 110.885 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -62.57 -34.22 76.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 74.129999999999995 110.85 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -54.35 42.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 62.399999999999999 111.049 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.747 ' HB1' ' CZ ' ' B' ' 52' ' ' PHE . . . -52.99 -33.56 52.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 53.009999999999998 111.111 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -31.95 59.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 61.43 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -31.35 72.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 74.510000000000005 110.918 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -55.6 -27.53 49.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 64.040000000000006 110.922 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.78 -32.45 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 73.150000000000006 110.887 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -51.99 -49.77 62.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 73.420000000000002 110.86 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -58.11 -54.08 51.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.892 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.17 -36.06 60.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 73.349999999999994 110.867 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -46.82 80.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 60.210000000000001 110.896 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.2 -26.88 60.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 73.209999999999994 110.918 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.81 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 73.219999999999999 111.126 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -64.78 -40.73 95.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.049999999999997 110.866 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.26 -32.52 73.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 63.32 110.884 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.78 -32.16 71.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 62.32 111.182 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -32.14 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.519999999999996 111.144 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -73.79 -32.49 63.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 72.310000000000002 110.865 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -31.98 60.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 72.450000000000003 110.958 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.785 HD11 HD12 ' B' ' 37' ' ' LEU . 0.8 OUTLIER -78.38 -30.99 48.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 73.140000000000001 110.913 179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -85.67 -26.72 25.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 64.030000000000001 110.89 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 53.43 112.438 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.426 -0.269 . . . . 72.150000000000006 112.426 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -83.15 -27.85 29.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.948 0.404 . . . . 73.109999999999999 110.878 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 1.052 HD11 HD11 ' A' ' 59' ' ' LEU . 2.8 mm? -51.9 -36.01 47.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.450000000000003 110.871 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.5 ptm -75.88 -30.68 58.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 71.519999999999996 110.862 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -77.12 -29.57 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 72.25 110.878 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 tt -73.32 -37.01 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 61.32 110.924 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 51.9 t -69.49 -30.14 67.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 45.039999999999999 110.831 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.28 -35.21 63.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 70.0 110.929 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.88 -45.32 71.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 72.109999999999999 110.846 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.04 -48.12 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 54.450000000000003 111.116 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.18 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 75.409999999999997 111.077 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -36.95 83.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -41.02 96.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 72.25 110.823 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.2 86.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 63.210000000000001 111.143 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.65 -33.28 73.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 71.450000000000003 110.886 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -74.38 -26.87 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.150000000000006 110.886 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -30.41 66.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 72.319999999999993 110.954 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.747 ' CZ ' ' HB1' ' B' ' 9' ' ' ALA . 0.2 OUTLIER -52.91 -33.22 49.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 74.310000000000002 110.88 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -43.0 82.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 73.409999999999997 110.843 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.02 -37.24 67.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 73.299999999999997 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.5 -28.71 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 52.219999999999999 111.103 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -41.75 89.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 110.876 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.88 -26.45 54.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.894 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -74.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 75.549999999999997 110.823 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 56.7 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 72.319999999999993 110.984 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.845 0.355 . . . . 72.400000000000006 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -35.28 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 71.420000000000002 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -32.31 73.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.219999999999999 110.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.464 ' OE2' HD22 ' B' ' 25' ' ' LEU . 21.2 mt-10 -65.16 -33.33 75.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.129999999999995 110.847 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.92 -53.06 45.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 62.299999999999997 111.1 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.86 -31.09 62.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 65.310000000000002 111.1 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.73 -41.75 52.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 72.129999999999995 110.923 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' B' ' 22' ' ' ALA . 1.8 mt -67.53 -31.09 70.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 75.109999999999999 110.874 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -58.45 -34.71 71.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 63.530000000000001 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -34.95 73.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 55.450000000000003 110.898 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.57 -48.08 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 73.549999999999997 110.907 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -55.57 -48.51 74.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.219999999999999 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -28.27 68.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 71.239999999999995 110.898 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -61.68 -46.48 89.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.019999999999996 110.849 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.584 HD13 ' HB3' ' B' ' 14' ' ' GLU . 68.8 mt -74.62 -31.03 61.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.443 . . . . 71.439999999999998 110.916 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.03 -41.62 99.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 71.109999999999999 111.131 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.77 -40.97 96.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 71.099999999999994 110.897 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -31.28 70.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.209999999999994 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.31 -32.25 71.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 73.099999999999994 111.09 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.5 71.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 65.010000000000005 111.056 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -66.6 -37.06 84.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 74.120000000000005 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -34.53 77.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 72.120000000000005 110.879 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.982 HD22 HD22 ' A' ' 37' ' ' LEU . 3.1 mt -67.4 -41.52 84.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 75.140000000000001 110.901 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -98.63 18.3 17.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 61.43 110.867 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 33.549999999999997 112.522 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.888 0.375 . . . . 75.319999999999993 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.982 HD22 HD22 ' A' ' 26' ' ' LEU . 7.9 mt -55.29 -30.3 59.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 64.319999999999993 110.916 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.5 ttp -76.39 -32.93 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 73.510000000000005 110.895 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -75.4 -33.94 61.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 75.140000000000001 110.945 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -49.27 75.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 73.310000000000002 110.916 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.8 m -70.61 -46.46 63.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.049999999999997 110.871 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.36 -31.04 63.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.230000000000004 110.889 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.57 -44.3 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 110.854 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.37 97.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.219999999999999 111.128 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.11 -25.23 63.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 72.540000000000006 111.185 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -65.75 -40.46 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.510000000000005 110.919 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -26.81 68.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 73.400000000000006 110.952 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.85 -38.34 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 34.219999999999999 111.134 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.53 -33.28 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 75.310000000000002 110.91 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.74 -32.58 63.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 74.510000000000005 110.89 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.38 -29.3 62.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 64.329999999999998 110.95 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.87 -33.23 66.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.140000000000001 110.902 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -47.12 87.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 42.420000000000002 110.902 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -33.63 52.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 61.329999999999998 110.907 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.09 -29.97 70.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 54.119999999999997 111.042 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -47.34 71.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.109999999999999 110.89 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -27.05 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 62.299999999999997 110.851 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -81.63 -74.78 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 72.5 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 72.549999999999997 110.903 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.788 0.328 . . . . 74.109999999999999 110.906 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -49.97 73.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 110.877 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 73.340000000000003 110.854 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -60.16 -40.94 91.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.140000000000001 110.851 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -54.08 45.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.010000000000005 111.095 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.04 -30.7 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 64.340000000000003 111.095 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 -40.0 63.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 75.430000000000007 110.831 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -31.74 71.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 72.420000000000002 110.92 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -55.28 -37.5 67.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 71.340000000000003 110.89 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -31.34 71.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 71.510000000000005 110.855 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.584 ' HB3' HD13 ' A' ' 18' ' ' LEU . 5.0 mm-40 -52.05 -39.75 60.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 63.509999999999998 110.891 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -58.51 -47.46 84.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 73.329999999999998 110.896 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -64.03 -28.53 69.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 71.530000000000001 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -49.6 76.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.209999999999994 110.851 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.93 -32.12 61.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 75.430000000000007 110.912 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.32 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 54.020000000000003 111.098 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.41 -38.27 89.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.239999999999995 110.874 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.19 -34.28 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 72.120000000000005 110.947 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.409 ' HB2' HD22 ' A' ' 11' ' ' LEU . . . -68.1 -30.86 70.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 34.340000000000003 111.093 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.08 -31.39 64.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 63.240000000000002 111.045 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.51 -32.09 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 71.439999999999998 110.86 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.464 HD22 ' OE2' ' A' ' 7' ' ' GLU . 1.8 mt -72.98 -31.72 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 64.329999999999998 110.927 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.491 HD13 ' HB3' ' B' ' 37' ' ' LEU . 40.2 mt -78.18 -26.31 47.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 73.140000000000001 110.922 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -79.1 -31.18 44.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 62.240000000000002 110.874 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 64.420000000000002 112.45 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.494 -0.243 . . . . 74.430000000000007 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -76.83 -32.66 57.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 74.319999999999993 110.863 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.491 ' HB3' HD13 ' B' ' 26' ' ' LEU . 4.1 mm? -54.67 -31.86 58.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 74.439999999999998 110.928 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -30.69 57.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 74.310000000000002 110.864 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -76.12 -34.0 59.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 70.239999999999995 110.843 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.47 -42.71 96.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 75.239999999999995 110.876 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 2.6 m -69.92 -49.58 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 65.120000000000005 110.916 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.92 -30.77 69.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 71.5 110.94 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -49.1 64.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 74.120000000000005 110.872 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.5 76.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 61.539999999999999 111.092 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.37 -30.83 68.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 35.140000000000001 111.081 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -34.19 77.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 74.310000000000002 110.874 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -38.66 88.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 72.150000000000006 110.889 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.2 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 71.140000000000001 111.136 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.28 -33.29 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 75.430000000000007 110.935 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -80.85 -32.23 35.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 71.200000000000003 110.857 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -33.21 67.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -33.36 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 65.150000000000006 110.822 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -63.42 -38.86 92.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 44.200000000000003 110.911 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 mp -77.61 -49.49 14.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 110.96 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.82 -31.14 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 64.420000000000002 111.036 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.95 -35.52 59.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 72.310000000000002 110.914 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.72 -26.28 60.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 110.908 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -91.37 -34.55 14.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 110.898 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.938 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.777 0.322 . . . . 75.120000000000005 110.93 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -57.15 11.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 72.120000000000005 110.908 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -39.77 79.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 62.439999999999998 110.891 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.23 -41.55 99.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 73.209999999999994 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.571 ' HA ' HD23 ' A' ' 11' ' ' LEU . . . -69.25 -52.22 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 53.25 111.104 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.65 -34.42 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -33.74 58.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 72.310000000000002 110.926 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -54.88 -29.03 54.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 71.129999999999995 110.91 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.4 -28.21 52.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 70.299999999999997 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 74.299999999999997 110.905 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -52.02 -51.71 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 72.239999999999995 110.921 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -55.42 -54.44 43.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 75.329999999999998 110.936 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -56.33 -31.72 63.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 71.109999999999999 110.916 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -54.43 -50.47 67.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.917 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -31.05 59.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 51.140000000000001 110.886 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.71 98.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 43.439999999999998 111.095 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.32 -38.47 84.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 75.400000000000006 110.84 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.25 -31.14 68.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 73.299999999999997 110.895 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -32.47 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 111.139 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.6 -30.89 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.510000000000005 111.115 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -64.4 -32.35 73.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 61.240000000000002 110.893 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -75.07 -30.95 61.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 75.450000000000003 110.891 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' A' ' 37' ' ' LEU . 11.2 mt -77.3 -25.53 51.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 74.109999999999999 110.912 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -96.24 -25.6 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.109999999999999 110.906 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 73.129999999999995 112.484 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.774 0.321 . . . . 75.120000000000005 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.656 ' HB3' HD22 ' A' ' 26' ' ' LEU . 20.9 mt -51.9 -30.05 22.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 64.129999999999995 110.927 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.0 ptp -53.75 -32.03 50.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 75.219999999999999 110.833 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -77.02 -33.27 57.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 70.239999999999995 110.895 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -44.27 79.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 65.430000000000007 110.851 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -46.07 33.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 51.439999999999998 110.862 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.04 -44.42 78.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 74.319999999999993 110.968 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -48.03 64.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 73.299999999999997 110.885 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.13 71.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 61.340000000000003 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.26 -25.71 55.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 75.150000000000006 111.069 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -63.33 -49.95 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 70.030000000000001 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -42.1 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 63.409999999999997 110.826 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.05 73.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 45.310000000000002 111.019 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.55 -33.27 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.099999999999994 110.938 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -73.98 -29.83 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 75.450000000000003 110.854 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' B' ' 44' ' ' ALA . 15.0 tp -69.62 -29.07 66.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 45.140000000000001 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -33.3 67.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 74.030000000000001 110.926 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -59.93 -38.14 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 73.219999999999999 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -48.49 49.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.916 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.38 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 53.32 111.107 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -69.89 -40.18 75.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 55.140000000000001 110.852 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.59 -28.43 56.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 61.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -74.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 62.229999999999997 110.841 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 65.030000000000001 110.9 -179.91 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 71.209999999999994 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -70.5 -43.29 70.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.120000000000005 110.905 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.1 -44.35 91.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 74.409999999999997 110.903 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -77.72 -33.81 52.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 74.120000000000005 110.965 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.71 -49.81 61.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 51.109999999999999 111.082 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.3 -30.72 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 73.120000000000005 111.105 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -74.43 -33.44 62.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 62.439999999999998 110.899 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.33 -31.14 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 73.239999999999995 110.902 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -57.94 -29.95 65.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 72.319999999999993 110.799 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.52 -31.31 69.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 75.219999999999999 110.968 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -52.25 -44.97 65.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 75.540000000000006 110.912 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -56.83 -49.22 76.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.898 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -26.26 65.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 74.310000000000002 110.915 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.63 -46.05 90.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 55.009999999999998 110.918 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -75.07 -32.44 61.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 72.129999999999995 110.903 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.87 95.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 71.219999999999999 111.095 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -42.87 91.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 65.219999999999999 110.878 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.28 -31.1 71.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 65.409999999999997 110.872 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.98 69.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 40.530000000000001 111.041 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.91 -32.08 43.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 55.420000000000002 111.106 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -73.7 -32.71 64.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 72.239999999999995 110.808 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.26 -32.28 62.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.283 -0.417 . . . . 74.420000000000002 110.895 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.726 HD21 ' CB ' ' B' ' 37' ' ' LEU . 9.3 tt -76.94 -26.14 53.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 73.230000000000004 110.969 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.29 -26.31 52.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 64.209999999999994 110.908 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 45.119999999999997 112.422 -179.874 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.471 -0.252 . . . . 75.150000000000006 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -64.73 -32.29 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 72.5 110.905 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.726 ' CB ' HD21 ' B' ' 26' ' ' LEU . 6.2 mt -53.9 -30.55 46.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 65.310000000000002 110.909 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 26.9 mtm -75.15 -31.97 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 72.109999999999999 110.868 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -76.78 -29.79 56.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 72.420000000000002 110.854 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.99 -49.72 74.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 62.409999999999997 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.14 -41.17 82.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 55.299999999999997 110.903 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -62.86 -33.65 75.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 52.32 110.877 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.26 -41.78 76.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 73.140000000000001 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.407 ' HB2' HD22 ' A' ' 51' ' ' LEU . . . -68.52 -34.92 76.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 52.310000000000002 111.099 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.52 -25.85 62.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 32.240000000000002 111.106 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -32.07 73.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 63.420000000000002 110.911 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -36.58 79.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 71.329999999999998 110.955 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.99 -43.94 94.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.049999999999997 111.107 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -33.23 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 110.855 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -82.03 -32.05 30.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 74.319999999999993 110.873 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 -29.37 63.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 73.150000000000006 110.925 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -33.44 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 65.420000000000002 110.963 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -41.5 89.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 73.340000000000003 110.883 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.82 -43.7 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 63.350000000000001 110.879 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.4 -32.1 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 71.409999999999997 111.11 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.04 -33.79 59.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 64.120000000000005 110.862 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.79 -26.29 54.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 74.340000000000003 110.88 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 -91.34 -34.71 14.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.040000000000006 110.84 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 54.140000000000001 110.921 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 4' ' ' LEU . 3.2 pp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.791 0.329 . . . . 74.530000000000001 110.909 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.688 ' CG ' HD12 ' A' ' 59' ' ' LEU . 2.0 tmt_? -71.6 -51.87 21.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 72.439999999999998 110.914 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.87 -40.67 89.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 52.310000000000002 110.921 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.7 -55.11 39.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 63.32 110.91 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.419 ' HB1' ' HG ' ' B' ' 26' ' ' LEU . . . -63.67 -40.43 96.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 75.430000000000007 111.045 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -30.82 71.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.420000000000002 111.095 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -32.37 60.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 61.340000000000003 110.879 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.637 HD12 ' HB2' ' B' ' 22' ' ' ALA . 0.3 OUTLIER -52.71 -30.75 34.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 63.020000000000003 110.874 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.62 -30.34 65.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 71.209999999999994 110.846 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.62 -34.91 76.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.209999999999994 110.838 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.42 -50.05 63.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.040000000000006 110.877 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.0 m0 -52.48 -46.33 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.530000000000001 110.922 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HD3' ' HB3' ' A' ' 48' ' ' ALA . 0.7 OUTLIER -63.55 -33.4 75.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 73.019999999999996 110.831 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -46.28 78.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 52.539999999999999 110.966 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.3 mt -75.48 -31.65 60.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 110.889 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.438 ' HB1' ' HB2' ' A' ' 45' ' ' ALA . . . -61.8 -43.91 97.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 73.030000000000001 111.074 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.57 -34.13 75.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -31.0 64.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.019999999999996 110.915 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.96 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 72.329999999999998 111.1 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.4 -31.93 58.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 72.329999999999998 111.119 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.61 -32.58 64.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.319999999999993 110.91 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -32.44 68.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 72.510000000000005 110.907 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 tp -78.94 -27.58 43.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 64.109999999999999 110.916 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -79.92 -26.2 40.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 75.400000000000006 110.926 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 54.329999999999998 112.519 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.918 0.39 . . . . 72.030000000000001 110.838 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.1 mt -51.97 -29.52 20.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 53.049999999999997 110.913 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.61 -35.96 60.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.530000000000001 110.952 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -71.36 -32.97 69.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 61.020000000000003 110.959 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.683 HD21 ' HD3' ' B' ' 58' ' ' ARG . 1.5 mt -56.63 -51.19 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 110.944 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.1 m -75.44 -31.53 60.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 53.200000000000003 110.892 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.94 -30.97 71.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 73.310000000000002 110.795 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.61 -48.32 75.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 72.409999999999997 110.879 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.71 -40.8 84.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 75.409999999999997 111.125 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.438 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . . . -71.53 -26.67 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 54.420000000000002 111.132 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -38.8 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 54.210000000000001 110.858 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -59.97 -42.12 93.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 71.209999999999994 110.873 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.49 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . . . -58.77 -33.91 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 71.140000000000001 111.069 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.76 -33.32 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 62.210000000000001 110.858 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -80.05 -31.56 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 74.099999999999994 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -29.82 64.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 73.439999999999998 110.833 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -33.38 66.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.421 . . . . 63.109999999999999 110.893 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -62.45 -49.28 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.019999999999996 110.921 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -43.34 80.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 75.450000000000003 110.899 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.99 -25.09 42.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 72.099999999999994 111.112 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -60.14 -44.52 94.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 110.919 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -77.12 -26.23 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 75.120000000000005 110.841 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -69.15 -33.95 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 65.310000000000002 110.889 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.688 HD12 ' CG ' ' A' ' 5' ' ' ARG . 4.4 mm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.430000000000007 110.9 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.815 0.34 . . . . 52.130000000000003 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -53.3 -29.7 34.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 72.140000000000001 110.863 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.43 -40.94 85.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 71.019999999999996 110.908 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -44.36 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 71.340000000000003 110.872 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.39 83.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 70.129999999999995 111.083 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.76 -36.18 71.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 55.43 111.104 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -71.96 -32.81 67.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.510000000000005 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -31.56 53.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 65.109999999999999 110.83 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -57.26 -34.32 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 110.925 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.14 -32.02 66.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 75.319999999999993 110.917 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -40.18 63.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.495 . . . . 65.530000000000001 110.909 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -57.32 -50.46 72.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 74.340000000000003 110.919 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -26.38 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 71.120000000000005 110.941 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -49.83 76.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 65.540000000000006 110.871 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -30.15 60.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 71.310000000000002 110.925 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.1 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 74.530000000000001 111.055 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.21 -39.1 86.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 72.019999999999996 110.9 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -71.88 -31.0 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 64.030000000000001 110.902 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 11' ' ' LEU . . . -74.62 -31.59 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 24.440000000000001 111.067 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.26 -32.52 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 72.340000000000003 111.141 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -68.69 -36.58 78.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 70.209999999999994 110.954 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.36 -34.72 77.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 65.319999999999993 110.857 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.419 ' HG ' ' HB1' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -67.46 -42.85 82.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 70.430000000000007 110.964 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.6 18.42 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 71.409999999999997 110.878 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 65.239999999999995 112.468 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.469 -0.252 . . . . 70.319999999999993 112.469 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -78.14 -30.85 49.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 74.0 110.928 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mp -52.02 -29.45 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.219999999999999 110.926 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 12.9 mtt -75.2 -35.99 61.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 72.219999999999999 110.95 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.59 -33.24 70.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 72.109999999999999 110.894 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.71 -35.03 74.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.319999999999993 110.91 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -74.34 -44.3 53.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 63.450000000000003 110.881 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -65.21 -29.85 70.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 110.83 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.8 -49.61 75.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 75.200000000000003 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -40.26 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 64.109999999999999 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.56 -28.19 62.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 61.109999999999999 111.076 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -36.24 83.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 63.229999999999997 110.93 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -59.33 -35.05 73.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 73.239999999999995 110.941 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -32.51 73.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 75.140000000000001 111.131 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -71.85 -33.41 68.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 62.219999999999999 110.84 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -80.13 -30.98 39.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 72.430000000000007 110.883 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 mt -74.25 -31.48 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 74.010000000000005 110.933 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -33.28 74.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 75.430000000000007 110.879 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -63.67 -41.97 98.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.049999999999997 110.884 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.22 -45.63 25.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 71.010000000000005 110.885 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.15 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 74.230000000000004 111.077 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -56.12 -50.98 69.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 64.319999999999993 110.908 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -77.55 -26.41 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 60.450000000000003 110.898 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.683 ' HD3' HD21 ' A' ' 40' ' ' LEU . 11.0 mmp_? -66.2 -36.78 83.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 72.319999999999993 110.924 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.475 HD12 ' C ' ' B' ' 58' ' ' ARG . 9.3 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 61.030000000000001 110.889 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.811 0.338 . . . . 75.420000000000002 110.949 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -51.86 -32.35 31.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 74.109999999999999 110.917 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -54.74 -49.82 69.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 73.340000000000003 110.905 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -71.85 -36.16 70.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 71.019999999999996 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -34.71 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 54.229999999999997 111.188 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.27 -32.51 70.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 65.430000000000007 111.126 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -73.16 -32.66 65.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.627 HD13 ' HB1' ' B' ' 22' ' ' ALA . 14.2 mt -53.63 -32.59 51.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 72.239999999999995 110.903 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.92 -29.5 69.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 65.219999999999999 110.84 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -33.22 67.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 75.129999999999995 110.923 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -53.64 -46.16 70.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 55.409999999999997 110.912 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.06 -50.43 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 74.349999999999994 110.938 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -58.74 -32.83 69.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 64.430000000000007 110.929 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -51.27 66.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.549999999999997 110.911 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.23 -28.97 62.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 73.230000000000004 110.821 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.41 89.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 62.210000000000001 111.062 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.53 -45.87 85.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 71.099999999999994 110.892 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -66.35 -31.07 71.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 64.219999999999999 110.872 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.509 ' HB2' HD22 ' B' ' 11' ' ' LEU . . . -70.96 -31.18 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 62.539999999999999 111.107 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.19 -32.42 71.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 72.519999999999996 111.111 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -65.87 -40.7 91.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 73.349999999999994 110.947 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -35.9 82.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 75.530000000000001 110.941 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.58 -37.9 83.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 53.25 110.948 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -98.59 16.51 21.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 63.020000000000003 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 43.140000000000001 112.49 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.936 0.398 . . . . 71.219999999999999 110.973 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.16 -31.57 52.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 74.010000000000005 110.951 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.2 mtt -69.8 -32.71 71.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 74.239999999999995 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -42.58 54.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 72.099999999999994 110.897 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.63 -30.48 67.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 65.409999999999997 110.915 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.51 -49.07 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.319999999999993 110.846 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 70.299999999999997 110.848 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.74 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 55.420000000000002 110.863 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.95 -49.49 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 53.520000000000003 111.126 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.47 66.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 64.099999999999994 111.129 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -62.49 -41.96 99.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 72.5 110.914 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -57.06 -29.52 63.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 72.299999999999997 110.849 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.87 -41.6 82.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 64.409999999999997 111.119 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -33.37 70.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 74.329999999999998 110.953 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.3 -31.91 69.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 74.299999999999997 110.932 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mt -72.01 -29.01 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.957 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -33.37 57.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 73.319999999999993 110.853 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -59.65 -51.26 70.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 73.209999999999994 110.904 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -40.06 69.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 62.130000000000003 110.864 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.94 -30.72 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.109999999999999 111.076 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.92 -48.92 74.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 44.350000000000001 110.889 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.38 -28.45 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 73.420000000000002 110.909 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -75.77 -74.78 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 74.030000000000001 110.915 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.5 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 61.210000000000001 110.916 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.797 0.332 . . . . 74.420000000000002 110.943 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.465 ' HB3' HD23 ' B' ' 59' ' ' LEU . 2.6 mpt_? -66.86 -40.69 87.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 61.25 110.876 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -69.65 -30.96 68.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 110.885 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.38 -52.81 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 75.349999999999994 110.899 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.466 ' HA ' HD12 ' B' ' 11' ' ' LEU . . . -53.2 -47.64 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 52.240000000000002 111.066 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.74 60.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 51.439999999999998 111.052 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.9 -37.71 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 72.219999999999999 110.932 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' A' ' 22' ' ' ALA . 8.6 mt -56.8 -32.67 65.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 64.019999999999996 110.85 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -61.89 -37.14 83.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 65.519999999999996 110.855 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.63 -32.55 74.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 50.530000000000001 110.957 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -53.57 -44.59 69.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 75.5 110.844 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -56.61 -46.56 80.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 74.430000000000007 110.873 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -60.77 -29.02 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 74.150000000000006 110.9 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -60.11 -51.01 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 71.140000000000001 110.825 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 74.1 mt -69.78 -31.64 69.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.272 -0.422 . . . . 73.230000000000004 110.929 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . . . -59.61 -44.7 93.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 72.329999999999998 111.071 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.71 -43.27 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 65.439999999999998 110.879 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 52.329999999999998 110.841 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.627 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -69.36 -31.61 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.319999999999993 111.062 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.1 -30.41 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 70.349999999999994 111.067 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -71.35 -31.76 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 65.310000000000002 110.921 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -31.87 64.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.966 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.663 HD12 ' HB3' ' B' ' 37' ' ' LEU . 4.1 mm? -78.54 -27.76 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 110.932 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.73 -27.68 44.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 71.219999999999999 110.832 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 61.32 112.465 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.478 -0.249 . . . . 33.340000000000003 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.57 -28.32 62.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.903 0.382 . . . . 75.120000000000005 110.952 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.663 ' HB3' HD12 ' B' ' 26' ' ' LEU . 4.5 mm? -60.06 -29.39 68.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 71.209999999999994 110.907 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 30.3 mtt -68.97 -44.59 72.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.519999999999996 110.838 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.01 -29.59 55.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.109999999999999 110.91 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.17 -47.53 78.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 70.129999999999995 110.895 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -39.15 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 62.450000000000003 110.864 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.18 -30.3 71.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 70.409999999999997 110.856 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -37.74 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.129999999999995 110.857 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.42 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 73.439999999999998 111.138 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.425 ' HB2' ' CB ' ' B' ' 19' ' ' ALA . . . -69.0 -26.98 65.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 43.539999999999999 111.085 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -60.64 -39.92 90.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 71.549999999999997 110.844 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -33.36 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 70.450000000000003 110.865 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 75.129999999999995 111.055 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.44 -33.3 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 75.540000000000006 110.87 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -71.21 -29.69 65.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 72.030000000000001 110.917 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.59 -28.6 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 70.329999999999998 110.912 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -33.33 64.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 74.109999999999999 110.874 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -46.82 88.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 70.120000000000005 110.921 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -38.91 48.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 71.109999999999999 110.841 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.84 -27.32 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 54.340000000000003 111.141 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -63.52 -44.21 94.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 73.120000000000005 110.852 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.43 -27.03 52.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 110.872 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 43.5 mmt-85 -69.34 -33.04 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 72.319999999999993 110.867 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' B' ' 5' ' ' ARG . 8.1 mp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 61.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.828 0.347 . . . . 63.240000000000002 110.988 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.465 ' O ' HD12 ' A' ' 59' ' ' LEU . 3.0 mtp85 -52.3 -39.86 61.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 110.905 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -68.58 -35.28 77.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.450000000000003 110.903 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -33.87 63.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 73.409999999999997 110.91 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.555 ' HB1' HD11 ' B' ' 26' ' ' LEU . . . -51.93 -43.84 63.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 70.420000000000002 111.127 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.62 -34.87 76.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 71.109999999999999 111.055 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -32.15 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 72.030000000000001 110.899 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.612 HD12 ' HB2' ' B' ' 22' ' ' ALA . 0.2 OUTLIER -54.12 -30.57 49.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 64.310000000000002 110.885 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.4 -28.65 55.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 110.91 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -33.14 68.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 73.120000000000005 110.891 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.24 -45.42 65.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 72.409999999999997 110.884 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -59.19 -50.53 73.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 74.230000000000004 110.858 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -52.44 -29.59 25.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 74.340000000000003 110.878 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -55.09 -51.43 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 64.450000000000003 110.883 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.2 mt -74.51 -32.59 62.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 73.329999999999998 110.896 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.96 99.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 61.210000000000001 111.104 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.3 -37.22 83.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 72.349999999999994 110.87 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -32.34 70.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 74.430000000000007 110.882 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.698 ' HA ' HD13 ' B' ' 11' ' ' LEU . . . -68.78 -30.87 69.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 74.329999999999998 111.112 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.98 -32.46 57.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 111.128 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -33.25 68.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 75.109999999999999 110.848 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -30.93 60.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 61.520000000000003 110.892 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp -79.31 -26.54 42.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 72.319999999999993 110.846 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -94.11 -25.98 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 61.340000000000003 110.912 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 74.230000000000004 112.471 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.92 0.391 . . . . 72.319999999999993 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mp -55.34 -33.79 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 74.510000000000005 110.917 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.4 ptm -76.5 -28.44 56.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 75.530000000000001 110.876 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -32.77 57.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 62.329999999999998 110.857 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -35.46 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 61.530000000000001 110.917 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -42.38 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 71.519999999999996 110.883 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.58 -30.03 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 110.88 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.09 -46.17 85.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 72.510000000000005 110.833 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.96 96.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 62.329999999999998 111.121 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -28.39 66.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 45.130000000000003 111.074 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -63.3 -29.33 70.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.904 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -61.61 -32.68 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 71.319999999999993 110.896 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.14 67.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 63.350000000000001 111.108 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.93 -33.4 68.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.89 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -79.18 -28.92 42.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 75.420000000000002 110.937 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.6 mt -73.82 -28.56 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 71.310000000000002 110.925 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -33.34 70.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 75.319999999999993 110.912 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -48.3 81.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 64.310000000000002 110.91 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.78 -25.77 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.439999999999998 110.916 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.66 67.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 73.120000000000005 111.082 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.11 -31.42 58.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 65.120000000000005 110.866 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.8 -22.54 49.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 72.030000000000001 110.921 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.568 ' HB3' HD23 ' A' ' 59' ' ' LEU . 28.1 mtt-85 -71.26 -76.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 75.510000000000005 110.864 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' A' ' 58' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 64.510000000000005 110.973 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.845 0.355 . . . . 71.140000000000001 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -51.84 61.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 75.319999999999993 110.893 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.02 -31.63 71.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 74.319999999999993 110.901 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -45.41 68.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 54.100000000000001 110.834 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.7 -52.15 64.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 61.350000000000001 111.11 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.93 -29.24 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 44.329999999999998 111.075 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.63 -33.02 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 63.530000000000001 110.986 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.698 HD13 ' HA ' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -62.25 -31.14 71.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 63.119999999999997 110.847 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -55.92 -39.31 71.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 75.219999999999999 110.868 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -73.16 -35.62 66.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 54.539999999999999 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -25.29 33.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 54.219999999999999 110.847 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -59.64 -41.49 90.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 74.510000000000005 110.98 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -67.14 -21.56 65.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 74.140000000000001 110.951 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -50.67 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 71.140000000000001 110.904 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.5 -32.84 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.409999999999997 110.897 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.21 -44.49 95.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 50.109999999999999 111.092 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -68.72 -31.86 71.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 72.310000000000002 110.837 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.65 -31.84 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 64.340000000000003 110.875 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.612 ' HB2' HD12 ' A' ' 11' ' ' LEU . . . -70.72 -30.94 67.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 75.030000000000001 111.102 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.17 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 72.329999999999998 111.106 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -64.45 -33.58 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 64.030000000000001 110.905 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.5 -30.87 61.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 110.896 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.734 HD23 ' HB3' ' B' ' 37' ' ' LEU . 7.5 mp -75.95 -25.68 56.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.430000000000007 110.895 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -96.55 -25.92 15.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 74.430000000000007 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 53.100000000000001 112.475 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.475 -0.25 . . . . 14.130000000000001 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -70.42 -28.34 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 75.140000000000001 110.845 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.734 ' HB3' HD23 ' B' ' 26' ' ' LEU . 41.4 mt -59.99 -29.53 68.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 64.319999999999993 110.868 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -68.87 -44.79 72.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.549999999999997 110.823 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -77.03 -29.78 55.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 73.019999999999996 110.891 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -39.2 81.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 53.310000000000002 110.86 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.411 ' SG ' HD22 ' B' ' 26' ' ' LEU . 1.7 m -67.07 -50.38 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 63.229999999999997 110.913 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.09 -29.88 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.25 110.969 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.49 -31.95 56.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 65.219999999999999 110.884 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.23 -40.87 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 111.096 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.27 57.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 71.25 111.108 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -54.72 -47.07 74.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 63.100000000000001 110.899 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -55.78 -32.73 63.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.230000000000004 110.952 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.23 -26.76 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 75.120000000000005 111.106 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.68 -33.26 62.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 74.010000000000005 110.88 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.12 -33.94 29.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 74.530000000000001 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -28.91 59.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 60.130000000000003 110.986 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -33.4 46.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.140000000000001 110.811 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -51.55 69.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 71.329999999999998 110.936 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.5 mt -77.75 -26.1 49.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 73.219999999999999 110.935 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.17 65.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 73.540000000000006 111.05 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -74.47 -52.33 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.450000000000003 110.856 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.54 -22.59 66.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.13 -0.486 . . . . 72.109999999999999 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.551 ' HB3' HD23 ' B' ' 59' ' ' LEU . 0.2 OUTLIER -50.98 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 71.450000000000003 110.902 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' B' ' 58' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 73.430000000000007 110.9 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.845 0.355 . . . . 71.519999999999996 110.928 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.785 ' HG2' HD22 ' A' ' 59' ' ' LEU . 4.2 mtt180 -61.58 -57.04 13.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 110.877 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -26.23 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.400000000000006 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -65.28 -52.61 53.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 75.430000000000007 110.876 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.27 -48.97 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 70.239999999999995 111.132 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.64 -29.17 24.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 61.240000000000002 111.078 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -41.89 60.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 73.109999999999999 110.87 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 mp -55.05 -32.87 62.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 71.319999999999993 110.875 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.528 ' HD2' HD13 ' A' ' 51' ' ' LEU . 6.8 m-85 -59.29 -46.08 89.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.340000000000003 110.906 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.504 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 3.5 mt-10 -75.04 -31.31 61.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 64.420000000000002 110.868 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -54.42 -26.05 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 61.25 110.858 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -58.48 -40.87 83.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 110.92 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -30.58 24.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 71.049999999999997 110.886 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -59.11 -51.45 69.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 60.119999999999997 110.846 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.49 -34.76 77.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.420000000000002 110.913 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.97 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 54.539999999999999 111.081 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -29.96 67.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 74.340000000000003 110.868 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -31.08 62.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 73.400000000000006 110.889 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.601 ' HB2' HD12 ' B' ' 11' ' ' LEU . . . -70.4 -33.13 71.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 64.530000000000001 111.092 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -70.34 -29.83 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 61.350000000000001 111.069 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -66.89 -31.24 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 64.030000000000001 110.91 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.69 -32.98 66.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 65.140000000000001 110.927 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.66 HD22 ' H ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.3 -36.63 46.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.951 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -25.78 33.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 110.852 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.684 -0.77 . . . . 72.5 112.429 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.908 0.385 . . . . 74.120000000000005 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.66 ' H ' HD22 ' A' ' 26' ' ' LEU . 9.9 tp -58.77 -29.57 66.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 44.119999999999997 110.924 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.5 ttm -51.94 -31.03 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 64.340000000000003 110.867 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -77.02 -55.6 5.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 52.530000000000001 110.903 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.72 -26.47 63.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 41.509999999999998 110.952 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.5 t -69.43 -40.75 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 41.329999999999998 110.916 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -41.41 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.09 -42.28 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 64.200000000000003 110.842 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.56 71.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 32.549999999999997 111.085 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.39 -25.27 54.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 70.510000000000005 111.111 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -73.04 -43.19 62.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 110.936 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -64.07 -26.1 68.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.875 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 13' ' ' GLU . . . -71.45 -46.46 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 72.200000000000003 111.148 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -33.27 62.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 71.430000000000007 110.946 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -70.29 -30.92 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 45.439999999999998 110.88 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.528 HD13 ' HD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -66.05 -28.33 68.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.329999999999998 110.889 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -33.36 68.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 75.439999999999998 110.921 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -41.63 98.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 110.909 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -34.69 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 64.540000000000006 110.937 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.98 -25.28 68.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 64.299999999999997 111.042 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.13 -41.3 50.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 75.099999999999994 110.863 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -78.13 -21.53 50.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.430000000000007 110.871 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -98.77 -72.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 71.329999999999998 110.877 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.785 HD22 ' HG2' ' A' ' 5' ' ' ARG . 63.7 mt . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 53.420000000000002 110.934 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.816 0.341 . . . . 75.510000000000005 110.846 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -51.84 -33.52 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.120000000000005 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -57.91 -46.55 84.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 61.509999999999998 110.953 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -74.81 -30.87 61.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 73.230000000000004 110.888 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.59 ' HB1' HD12 ' A' ' 26' ' ' LEU . . . -51.98 -52.15 52.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 64.219999999999999 111.08 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -30.66 68.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 42.140000000000001 111.055 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -31.95 58.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 74.040000000000006 110.964 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.601 HD12 ' HB2' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -53.55 -33.07 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 53.509999999999998 110.923 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -59.27 -28.17 66.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 71.420000000000002 110.893 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -71.66 -31.15 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.519999999999996 110.95 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.502 ' HG3' HD13 ' B' ' 11' ' ' LEU . 14.0 mm-40 -51.98 -35.22 45.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 75.019999999999996 110.879 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -58.04 -41.58 83.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 74.409999999999997 110.893 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -58.9 -26.22 64.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 75.439999999999998 110.905 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -51.49 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 72.010000000000005 110.855 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -30.47 59.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 71.219999999999999 110.92 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.52 85.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 64.239999999999995 111.123 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.96 -36.37 81.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 75.319999999999993 110.937 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.23 -30.93 70.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 71.219999999999999 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.407 ' HB3' ' SG ' ' B' ' 41' ' ' CYS . . . -76.48 -30.72 57.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 33.409999999999997 111.06 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.38 65.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 74.310000000000002 111.08 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -31.2 62.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 72.329999999999998 110.946 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -41.47 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.349999999999994 110.891 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.604 HD13 ' HB3' ' B' ' 37' ' ' LEU . 4.5 pp -76.6 -24.39 53.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 64.439999999999998 110.888 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.502 ' N ' HD12 ' B' ' 26' ' ' LEU . 0.5 OUTLIER -84.35 -26.33 28.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 65.400000000000006 110.956 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.737 -0.744 . . . . 51.399999999999999 112.471 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.481 -0.248 . . . . 71.109999999999999 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.664 ' HG2' HD23 ' B' ' 40' ' ' LEU . 30.9 tt0 -66.68 -32.74 74.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 71.519999999999996 110.857 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.604 ' HB3' HD13 ' B' ' 26' ' ' LEU . 4.3 mm? -52.65 -33.33 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 110.936 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 4.0 ttt -76.49 -32.48 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.869 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -76.7 -31.39 57.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 72.400000000000006 110.933 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.664 HD23 ' HG2' ' B' ' 36' ' ' GLU . 0.9 OUTLIER -69.01 -36.24 77.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.409999999999997 110.886 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' B' ' 22' ' ' ALA . 1.6 t -73.99 -46.12 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 70.209999999999994 110.871 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.61 -36.35 69.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 63.240000000000002 110.923 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.15 -35.0 75.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 65.420000000000002 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.26 -46.49 64.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 51.43 111.129 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.62 -25.04 62.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 60.420000000000002 111.105 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -63.2 -36.08 82.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 74.109999999999999 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -39.58 71.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 74.150000000000006 110.891 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.89 81.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 43.130000000000003 111.082 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -33.26 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 52.240000000000002 110.905 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -81.12 -30.58 34.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 72.219999999999999 110.867 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -29.57 60.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 51.140000000000001 110.947 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -33.3 63.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.510000000000005 110.92 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -60.97 -51.81 67.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 70.209999999999994 110.906 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.87 -35.03 67.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.450000000000003 110.962 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.65 -27.96 66.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.329999999999998 111.07 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.96 -35.43 59.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 62.32 110.883 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.9 -26.19 60.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 75.310000000000002 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -63.76 -30.49 71.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 70.310000000000002 110.876 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 71.230000000000004 110.922 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.861 0.362 . . . . 74.25 110.981 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -62.13 -28.97 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 72.120000000000005 110.863 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -72.46 -41.1 66.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 65.25 110.892 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -73.26 -32.87 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 54.340000000000003 110.862 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.58 -43.32 60.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 62.409999999999997 111.093 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.94 85.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 111.105 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -72.7 -32.56 65.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 72.040000000000006 110.879 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.556 HD13 ' CB ' ' B' ' 22' ' ' ALA . 1.0 OUTLIER -54.37 -30.58 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 73.109999999999999 110.918 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -55.25 -30.97 61.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 64.200000000000003 110.862 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -34.05 68.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.519999999999996 110.908 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.27 -41.27 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 71.120000000000005 110.913 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -57.78 -51.04 71.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 60.43 110.951 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -68.52 -28.35 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 61.409999999999997 110.922 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -55.45 -51.54 66.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 75.420000000000002 110.882 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.61 -32.69 60.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.93 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.66 99.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 75.420000000000002 111.141 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -63.52 -44.3 94.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 73.219999999999999 110.843 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.35 -32.03 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.420000000000002 110.858 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.26 73.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 33.539999999999999 111.128 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.61 -32.59 74.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.530000000000001 111.092 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -73.76 -32.78 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 53.340000000000003 110.975 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.58 -31.77 63.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 33.100000000000001 110.9 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.949 HD11 HD12 ' A' ' 37' ' ' LEU . 6.2 tt -77.23 -26.2 52.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 65.450000000000003 110.896 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -77.06 -26.99 54.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.219999999999999 110.881 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 73.329999999999998 112.451 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.876 0.37 . . . . 70.430000000000007 110.846 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 1.09 HD11 HD21 ' B' ' 59' ' ' LEU . 1.2 mm? -55.66 -30.7 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 110.892 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.0 mtt -76.16 -32.79 59.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 62.200000000000003 110.869 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.64 -31.2 61.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 71.340000000000003 110.874 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -57.92 -49.0 78.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 63.539999999999999 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -37.04 70.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 71.219999999999999 110.873 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.96 -30.63 71.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.219999999999999 110.926 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -53.67 -44.92 70.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 73.329999999999998 110.906 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.24 -48.85 79.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 75.010000000000005 111.078 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.48 -26.82 68.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 31.210000000000001 111.039 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -36.99 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.549999999999997 110.95 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -30.87 70.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.25 110.874 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.47 65.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 71.010000000000005 111.051 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -71.13 -33.26 69.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 63.530000000000001 110.868 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -81.64 -32.73 31.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 73.329999999999998 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -30.78 71.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 71.319999999999993 110.916 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -33.31 72.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 60.539999999999999 110.878 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -69.6 -41.92 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 110.982 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.73 -37.58 65.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.932 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.97 -28.31 64.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 72.129999999999995 111.093 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -45.39 87.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 74.319999999999993 110.867 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -77.16 -26.95 53.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 75.25 110.857 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -74.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 74.120000000000005 110.92 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.925 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.409 HD12 ' C ' ' B' ' 4' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 71.129999999999995 110.917 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -52.88 63.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.914 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -72.34 -27.72 62.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 63.549999999999997 110.894 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -57.23 13.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 73.299999999999997 110.93 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.58 95.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 74.109999999999999 111.171 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.24 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 54.43 111.15 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -59.57 -40.03 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.530000000000001 110.948 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.87 -30.43 71.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.239999999999995 110.845 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -49.82 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.519999999999996 110.865 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -35.87 74.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 74.319999999999993 110.913 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.504 ' O ' HD23 ' B' ' 18' ' ' LEU . 0.8 OUTLIER -51.71 -52.66 46.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 64.530000000000001 110.895 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.19 -44.34 22.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 110.899 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -29.46 25.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 70.530000000000001 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -77.77 -35.69 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 62.530000000000001 110.867 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.504 HD23 ' O ' ' B' ' 14' ' ' GLU . 3.4 mm? -63.82 -33.16 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 74.040000000000006 111.012 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.33 -42.0 96.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 71.400000000000006 111.067 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.7 -30.13 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 62.130000000000003 110.872 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -74.83 -31.41 61.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 71.150000000000006 110.853 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.556 ' CB ' HD13 ' A' ' 11' ' ' LEU . . . -71.1 -30.85 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 44.32 111.124 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' B' ' 41' ' ' CYS . . . -70.1 -30.56 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 63.25 111.098 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -68.92 -32.6 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 72.430000000000007 110.909 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.46 -32.76 71.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 63.109999999999999 110.927 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.434 HD22 HD13 ' B' ' 37' ' ' LEU . 12.7 mt -73.71 -38.51 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 74.209999999999994 110.904 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.45 -26.81 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.530000000000001 110.881 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.718 -0.753 . . . . 71.040000000000006 112.49 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.475 -0.25 . . . . 74.310000000000002 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.01 -32.87 74.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.914 0.388 . . . . 75.349999999999994 110.927 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.434 HD13 HD22 ' B' ' 26' ' ' LEU . 46.1 mt -54.48 -30.72 54.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 73.510000000000005 110.887 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 25.3 ttp -75.34 -28.98 59.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.84 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -37.37 59.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 74.329999999999998 110.976 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -42.88 89.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 53.32 110.912 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' B' ' 23' ' ' ALA . 0.6 OUTLIER -73.77 -40.71 63.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 62.240000000000002 110.88 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -66.0 -30.56 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 54.520000000000003 110.895 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.41 -40.89 62.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 72.439999999999998 110.923 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.0 -30.69 71.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 64.439999999999998 111.083 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.74 -30.8 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 63.149999999999999 111.118 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -56.15 -53.64 54.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 74.340000000000003 110.848 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' LYS . . . . . 0.519 ' O ' HD13 ' B' ' 51' ' ' LEU . 9.1 mmpt? -55.81 -26.08 44.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 60.020000000000003 110.917 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.6 -26.58 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 43.229999999999997 111.091 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -74.33 -33.16 63.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.69 -29.48 33.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 72.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.519 HD13 ' O ' ' B' ' 47' ' ' LYS . 3.7 mp -67.1 -46.29 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 71.430000000000007 110.846 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -33.27 63.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.420000000000002 110.882 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -40.63 94.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 55.240000000000002 110.89 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.43 -46.3 23.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 110.958 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 -31.1 64.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.319999999999993 111.096 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -69.42 -48.93 59.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 54.140000000000001 110.975 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -64.66 -26.28 68.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 72.310000000000002 110.839 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.11 -37.53 23.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 73.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 1.09 HD21 HD11 ' A' ' 37' ' ' LEU . 58.6 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 54.409999999999997 110.952 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.822 0.344 . . . . 65.219999999999999 110.908 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 mmt-85 -60.53 -56.09 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 64.209999999999994 110.883 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.38 -37.81 87.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 72.200000000000003 110.844 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.83 -30.66 69.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 70.530000000000001 110.865 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.9 -45.61 64.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 54.539999999999999 111.094 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.513 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -55.28 -45.78 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 54.520000000000003 111.084 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -75.96 -31.95 59.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 64.329999999999998 110.932 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.99 HD21 ' HB1' ' B' ' 22' ' ' ALA . 25.9 tp -53.2 -32.86 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 75.129999999999995 110.916 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -57.5 -27.33 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 75.409999999999997 110.868 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -65.47 -31.39 72.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.140000000000001 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.04 -47.91 64.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 73.310000000000002 110.903 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -55.54 -44.35 76.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 71.209999999999994 110.85 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.689 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 2.2 tptp -52.05 -31.88 32.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 64.099999999999994 110.926 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -53.99 -49.55 68.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 75.540000000000006 110.934 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.087 HD11 HD13 ' B' ' 18' ' ' LEU . 37.4 mt -75.57 -32.88 60.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 75.549999999999997 110.964 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.21 -42.58 99.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 61.109999999999999 111.137 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -38.71 87.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 70.310000000000002 110.898 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.45 -31.06 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 65.420000000000002 110.838 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.461 ' HB2' ' HB3' ' B' ' 11' ' ' LEU . . . -68.71 -32.15 71.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 64.140000000000001 111.096 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.55 -32.42 60.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 34.210000000000001 111.16 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -73.8 -31.33 63.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 54.119999999999997 110.947 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.82 -32.31 61.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 72.099999999999994 110.89 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -76.18 -35.89 58.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 73.439999999999998 110.895 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.81 -26.2 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 51.409999999999997 110.87 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.696 -0.764 . . . . 42.420000000000002 112.468 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.846 0.355 . . . . 70.129999999999995 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.72 -30.65 61.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 74.040000000000006 110.985 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.6 mtm -76.34 -32.85 58.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 71.109999999999999 110.908 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -75.97 -29.64 58.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 62.43 110.913 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.22 -53.44 57.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 73.400000000000006 110.909 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.7 m -66.43 -38.09 86.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 72.510000000000005 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -62.74 -33.82 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 72.420000000000002 110.877 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.36 -44.01 97.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.9 -37.77 86.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.340000000000003 111.105 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.689 ' HB1' ' HD2' ' A' ' 16' ' ' LYS . . . -75.87 -26.64 57.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 62.030000000000001 111.059 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.23 -31.01 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 70.230000000000004 110.874 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -28.3 68.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 51.219999999999999 110.877 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.96 -29.52 64.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 73.030000000000001 111.063 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.36 -33.23 63.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 73.219999999999999 110.853 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.5 -28.45 46.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 62.399999999999999 110.894 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -28.83 64.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 72.340000000000003 110.909 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.513 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -54.16 -33.36 57.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 74.230000000000004 110.923 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -62.44 -43.3 99.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 55.310000000000002 110.956 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.82 -46.89 20.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 71.450000000000003 110.936 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.86 -31.96 42.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 111.103 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -76.09 -33.75 59.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 72.109999999999999 110.847 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.77 -26.1 54.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 74.349999999999994 110.847 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -92.46 -35.41 13.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.239999999999995 110.87 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.494 HD21 HD11 ' B' ' 37' ' ' LEU . 68.7 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 71.439999999999998 110.947 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.741 0.305 . . . . 74.120000000000005 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -64.07 -56.24 16.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.400000000000006 110.869 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.16 -31.17 67.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 65.120000000000005 110.843 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.59 -31.03 68.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.439999999999998 110.88 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -29.02 61.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 45.43 111.102 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.44 -28.72 21.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 51.030000000000001 111.144 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -58.82 -32.08 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 75.519999999999996 110.849 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -73.96 -32.86 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 73.120000000000005 110.907 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.93 -43.11 99.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 63.109999999999999 110.877 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.35 -31.32 62.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 70.109999999999999 110.888 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.17 -25.33 31.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.239999999999995 110.867 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -59.2 -41.21 88.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 61.240000000000002 110.885 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -19.74 60.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 65.109999999999999 110.921 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -49.01 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 61.439999999999998 110.929 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 1.087 HD13 HD11 ' A' ' 18' ' ' LEU . 3.0 mp -75.53 -32.91 60.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 64.129999999999995 110.938 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.16 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 73.219999999999999 111.133 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -68.85 -38.17 79.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.219999999999999 110.899 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.5 -30.94 63.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 64.400000000000006 110.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.99 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -76.28 -30.78 57.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 53.530000000000001 111.019 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.72 -30.01 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.120000000000005 111.095 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -31.87 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.219999999999999 110.933 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.34 -31.44 60.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 70.099999999999994 110.931 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' B' ' 37' ' ' LEU . 9.5 mt -79.93 -29.95 39.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.349999999999994 110.933 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.08 -26.27 20.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 73.299999999999997 110.913 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 54.119999999999997 112.476 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.576 -0.21 . . . . 71.040000000000006 112.576 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.451 ' CG ' HD23 ' B' ' 40' ' ' LEU . 29.4 tt0 -65.73 -28.45 69.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 71.010000000000005 110.859 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.622 ' HB3' HD22 ' B' ' 26' ' ' LEU . 4.4 mm? -59.91 -29.55 68.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 75.340000000000003 110.971 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 38.3 ttm -68.91 -44.53 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 54.340000000000003 110.862 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -77.05 -29.65 55.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 65.200000000000003 110.865 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.451 HD23 ' CG ' ' B' ' 36' ' ' GLU . 0.9 OUTLIER -71.01 -34.14 71.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 63.420000000000002 110.93 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 38.0 t -73.84 -45.1 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 74.209999999999994 110.886 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.19 -29.85 47.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.420000000000002 110.881 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -35.54 48.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.519999999999996 110.843 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -49.72 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 60.219999999999999 111.062 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.26 61.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 71.400000000000006 111.111 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.63 -51.94 67.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 74.099999999999994 110.851 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -51.92 -30.36 24.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 43.420000000000002 110.905 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.6 -36.33 70.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 75.409999999999997 111.074 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.25 -33.21 67.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.120000000000005 110.867 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -78.1 -32.17 50.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 64.099999999999994 110.888 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -28.47 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 63.420000000000002 110.943 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -33.26 48.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.319999999999993 110.88 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -51.21 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 54.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.9 -41.53 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 75.140000000000001 110.845 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.45 -29.14 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 71.150000000000006 111.094 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.49 -44.29 75.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 63.549999999999997 110.914 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.2 -25.46 66.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 72.319999999999993 110.897 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -88.27 -35.34 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 73.209999999999994 110.826 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 63.420000000000002 110.912 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.775 0.321 . . . . 72.239999999999995 110.91 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -69.63 -54.97 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.420000000000002 110.86 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -54.45 -39.83 67.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.230000000000004 110.896 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -31.58 66.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 53.130000000000003 110.865 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.37 -49.46 76.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 55.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.01 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 52.109999999999999 111.121 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -34.93 72.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 75.010000000000005 110.876 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.561 HD11 HD13 ' B' ' 25' ' ' LEU . 1.0 OUTLIER -57.91 -30.85 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 75.010000000000005 110.941 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -60.19 -27.45 67.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 71.299999999999997 110.872 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.69 -32.2 62.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 70.129999999999995 110.881 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -54.76 -37.62 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 63.509999999999998 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -64.86 -52.12 58.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 74.099999999999994 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -33.32 75.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 62.25 110.897 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.55 63.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 71.109999999999999 110.894 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.68 -26.12 57.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 74.319999999999993 110.917 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.79 91.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 63.530000000000001 111.079 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.64 -47.16 86.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 75.129999999999995 110.868 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.89 -30.95 71.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 75.200000000000003 110.925 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.052 ' HB1' HD21 ' B' ' 11' ' ' LEU . . . -67.15 -32.05 72.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.430000000000007 111.104 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.46 -29.8 70.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 52.329999999999998 111.056 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.0 -40.52 71.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 63.399999999999999 110.909 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -35.49 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.230000000000004 110.91 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 37' ' ' LEU . 8.9 mt -68.14 -36.38 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 110.925 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.66 15.71 24.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.874 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 73.230000000000004 112.475 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.86 0.362 . . . . 72.340000000000003 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.541 ' O ' HD13 ' A' ' 26' ' ' LEU . 4.5 mm? -56.94 -30.5 64.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 72.25 110.927 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.1 mtt -74.07 -31.58 62.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.510000000000005 110.921 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -76.97 -32.57 57.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 74.439999999999998 110.906 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -48.6 78.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 75.400000000000006 110.9 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.52 -46.69 68.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 62.329999999999998 110.89 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.64 -45.04 81.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.310000000000002 110.881 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.14 -48.88 78.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 65.310000000000002 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.52 -38.98 67.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 63.32 111.073 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.79 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 61.119999999999997 111.102 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -37.59 88.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 53.130000000000003 110.897 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -32.97 68.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.25 110.878 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.48 69.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 65.019999999999996 111.12 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -33.34 74.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 75.209999999999994 110.889 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -77.47 -31.72 53.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 74.040000000000006 110.884 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -35.81 68.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 45.130000000000003 110.863 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -33.26 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.879 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -40.52 96.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.872 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.6 mp -77.1 -47.87 19.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 65.420000000000002 110.888 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.59 -27.45 49.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 72.430000000000007 111.138 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -76.12 -34.44 59.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 75.219999999999999 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -77.53 -26.33 50.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 53.530000000000001 110.914 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -86.79 -37.18 18.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 70.140000000000001 110.854 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.239999999999995 110.949 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.823 0.344 . . . . 71.349999999999994 110.942 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -35.33 75.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.25 110.863 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.88 -32.37 73.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 61.109999999999999 110.899 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -35.23 64.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 73.340000000000003 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.02 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 74.129999999999995 111.069 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.04 93.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 41.310000000000002 111.133 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -33.73 67.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 75.150000000000006 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 1.052 HD21 ' HB1' ' A' ' 22' ' ' ALA . 5.3 tp -52.03 -37.93 55.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 70.200000000000003 110.837 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -38.23 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.030000000000001 110.919 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -37.21 86.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 74.140000000000001 110.883 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.422 ' O ' HD23 ' B' ' 18' ' ' LEU . 3.3 tt0 -51.6 -53.33 39.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 62.32 110.885 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -45.71 18.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 71.150000000000006 110.926 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -28.82 22.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 71.540000000000006 110.862 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -72.17 -43.62 64.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 71.299999999999997 110.878 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.422 HD23 ' O ' ' B' ' 14' ' ' GLU . 3.9 mm? -58.4 -40.82 83.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 62.399999999999999 110.882 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.33 95.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 52.020000000000003 111.121 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -70.53 -29.92 66.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 73.140000000000001 110.873 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.43 -34.18 65.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.329999999999998 110.899 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.518 ' HB2' HD22 ' A' ' 11' ' ' LEU . . . -68.15 -32.27 72.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.239999999999995 111.103 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.01 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 54.439999999999998 111.102 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -74.01 -32.06 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 53.119999999999997 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.561 HD13 HD11 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -75.47 -32.34 60.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 54.409999999999997 110.964 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.76 -34.7 62.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 72.329999999999998 110.903 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -25.63 24.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.400000000000006 110.844 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 53.340000000000003 112.484 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.492 -0.243 . . . . 44.329999999999998 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -82.95 -33.31 26.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.929 0.395 . . . . 74.329999999999998 110.899 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mt -57.49 -29.64 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 75.25 110.884 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 34.9 ttm -76.46 -29.17 56.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.230000000000004 110.906 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -73.48 -33.52 64.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 61.299999999999997 110.925 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -39.76 78.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 110.926 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -31.98 61.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 40.119999999999997 110.919 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.39 -31.26 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 110.897 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.6 -46.48 67.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 72.099999999999994 110.909 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.31 76.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 72.340000000000003 111.049 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.34 -26.09 55.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 75.540000000000006 111.138 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -47.21 87.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 71.400000000000006 110.933 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -59.15 -33.16 70.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 55.32 110.919 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.09 -32.99 74.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 51.229999999999997 111.085 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -72.53 -33.29 66.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 73.019999999999996 110.859 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.92 -31.91 45.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.219999999999999 110.839 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.31 -31.04 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 75.299999999999997 110.904 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -33.36 68.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 110.894 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -40.61 89.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 74.519999999999996 110.883 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.634 HD12 ' NH1' ' B' ' 58' ' ' ARG . 4.0 mm? -71.46 -44.62 64.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 75.0 110.941 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.71 -27.66 29.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 54.420000000000002 111.135 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.36 -48.41 73.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 61.43 110.889 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.51 -29.28 52.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.219999999999999 110.878 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.634 ' NH1' HD12 ' B' ' 54' ' ' LEU . 11.5 mmp_? -65.62 -38.8 90.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 73.230000000000004 110.886 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 74.439999999999998 110.932 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 71.329999999999998 110.827 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -133.26 164.0 28.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 61.310000000000002 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.41 -27.42 9.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 72.430000000000007 110.862 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp -73.38 -26.34 60.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 60.109999999999999 110.883 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.412 ' HG2' HD23 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -57.45 -54.09 50.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 75.219999999999999 110.882 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -72.43 -28.47 62.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 44.310000000000002 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' OE1' HD23 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.66 -56.91 8.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 74.099999999999994 110.923 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.33 -47.05 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.16 -32.1 61.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 73.010000000000005 111.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -72.6 -39.97 66.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 75.340000000000003 110.933 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.417 HD23 ' OE1' ' A' ' 7' ' ' GLU . 1.7 mm? -60.54 -31.14 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 64.409999999999997 110.963 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.93 -33.39 74.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 75.329999999999998 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -70.93 -31.5 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 73.310000000000002 110.911 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -42.93 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 74.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -61.53 -47.34 86.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 71.430000000000007 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -27.26 67.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 51.210000000000001 110.941 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -50.65 73.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.868 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.59 -31.15 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 64.329999999999998 110.935 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.32 90.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 63.229999999999997 111.085 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.69 -43.36 89.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 71.230000000000004 110.894 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -31.65 71.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 62.109999999999999 110.817 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.99 -32.21 66.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 111.103 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.13 -31.19 61.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 71.299999999999997 111.079 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -73.5 -32.2 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 74.120000000000005 110.905 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -31.31 61.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 54.100000000000001 110.908 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -29.64 61.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 74.239999999999995 110.969 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -92.15 -26.98 17.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 75.409999999999997 110.832 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.8 -59.96 0.4 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 63.399999999999999 112.554 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.96 -41.7 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.815 -0.707 . . . . 55.240000000000002 112.565 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.35 49.94 0.89 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.692 -0.766 . . . . 35.43 112.453 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.0 -175.54 42.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 65.239999999999995 112.458 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.03 -66.65 0.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.801 -0.714 . . . . 54.0 112.53 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.08 -90.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.717 . . . . 53.140000000000001 112.469 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -108.07 67.06 0.23 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 72.329999999999998 112.44 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.86 74.14 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.736 . . . . 63.439999999999998 112.541 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -70.03 -32.31 70.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 74.040000000000006 110.89 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 mt -54.66 -32.15 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 74.430000000000007 111.024 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.0 ttm -75.1 -29.9 60.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 62.149999999999999 110.895 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -74.85 -34.48 62.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 72.010000000000005 110.915 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -43.45 98.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.519999999999996 110.855 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -47.07 69.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 73.140000000000001 110.856 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.12 -31.45 67.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 75.319999999999993 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.85 -38.89 76.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 61.329999999999998 110.862 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.42 85.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.420000000000002 111.09 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.05 -28.91 67.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 53.030000000000001 111.068 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -65.22 -33.26 75.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 72.129999999999995 110.872 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -37.62 86.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 70.0 110.96 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.79 -28.93 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 54.140000000000001 111.151 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.81 -33.22 62.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 70.129999999999995 110.943 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -74.42 -31.71 62.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 60.240000000000002 110.851 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.51 -34.67 63.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 74.340000000000003 110.915 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.78 -33.31 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.349999999999994 110.9 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -45.39 93.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 74.319999999999993 110.874 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.03 -47.77 27.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 73.120000000000005 110.887 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.3 -25.1 58.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.510000000000005 111.092 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.19 -52.08 65.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 72.299999999999997 110.843 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.493 ' HG2' HD11 ' A' ' 62' ' ' LEU . 1.1 tt0 -73.59 -26.77 60.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 71.049999999999997 110.903 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -67.34 -33.05 74.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 110.871 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.052 HD11 HD11 ' B' ' 37' ' ' LEU . 8.2 mp -99.27 -25.89 14.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 75.329999999999998 110.896 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -99.64 97.77 8.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 74.450000000000003 110.891 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -65.88 126.59 28.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 73.120000000000005 110.909 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.493 HD11 ' HG2' ' A' ' 57' ' ' GLU . 1.9 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 70.549999999999997 110.918 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ptt? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.8 0.333 . . . . 63.030000000000001 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt 63.15 162.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 73.519999999999996 110.908 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -149.92 -46.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.409 . . . . 73.129999999999995 110.92 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.07 -37.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 74.040000000000006 110.908 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.5 -56.23 16.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 73.329999999999998 110.848 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.83 -34.29 77.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 72.25 110.885 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -62.57 -34.22 76.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 74.129999999999995 110.85 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -54.35 42.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 62.399999999999999 111.049 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.747 ' HB1' ' CZ ' ' B' ' 52' ' ' PHE . . . -52.99 -33.56 52.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 53.009999999999998 111.111 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -31.95 59.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 61.43 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -31.35 72.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 74.510000000000005 110.918 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -55.6 -27.53 49.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 64.040000000000006 110.922 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.78 -32.45 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 73.150000000000006 110.887 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -51.99 -49.77 62.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 73.420000000000002 110.86 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -58.11 -54.08 51.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.892 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.17 -36.06 60.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 73.349999999999994 110.867 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -46.82 80.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 60.210000000000001 110.896 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.2 -26.88 60.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 73.209999999999994 110.918 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.81 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 73.219999999999999 111.126 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -64.78 -40.73 95.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.049999999999997 110.866 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.26 -32.52 73.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 63.32 110.884 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.78 -32.16 71.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 62.32 111.182 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -32.14 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.519999999999996 111.144 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -73.79 -32.49 63.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 72.310000000000002 110.865 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -31.98 60.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 72.450000000000003 110.958 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.785 HD11 HD12 ' B' ' 37' ' ' LEU . 0.8 OUTLIER -78.38 -30.99 48.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 73.140000000000001 110.913 179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -85.67 -26.72 25.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 64.030000000000001 110.89 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.52 51.62 57.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 53.43 112.438 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.69 -56.25 0.47 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 64.150000000000006 112.437 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.82 167.67 38.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 62.130000000000003 112.502 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.11 -101.18 0.2 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 53.539999999999999 112.512 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.58 129.54 5.34 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.745 . . . . 54.100000000000001 112.514 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.92 54.2 36.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 50.310000000000002 112.509 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.32 -119.52 7.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.795 -0.717 . . . . 35.130000000000003 112.505 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.54 103.84 2.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 72.150000000000006 112.426 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -83.15 -27.85 29.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.948 0.404 . . . . 73.109999999999999 110.878 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 1.052 HD11 HD11 ' A' ' 59' ' ' LEU . 2.8 mm? -51.9 -36.01 47.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.450000000000003 110.871 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.5 ptm -75.88 -30.68 58.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 71.519999999999996 110.862 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -77.12 -29.57 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 72.25 110.878 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 tt -73.32 -37.01 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 61.32 110.924 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 51.9 t -69.49 -30.14 67.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 45.039999999999999 110.831 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.28 -35.21 63.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 70.0 110.929 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.88 -45.32 71.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 72.109999999999999 110.846 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.04 -48.12 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 54.450000000000003 111.116 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.18 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 75.409999999999997 111.077 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -36.95 83.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -41.02 96.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 72.25 110.823 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.2 86.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 63.210000000000001 111.143 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.65 -33.28 73.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 71.450000000000003 110.886 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -74.38 -26.87 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.150000000000006 110.886 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -30.41 66.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 72.319999999999993 110.954 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.747 ' CZ ' ' HB1' ' B' ' 9' ' ' ALA . 0.2 OUTLIER -52.91 -33.22 49.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 74.310000000000002 110.88 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -43.0 82.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 73.409999999999997 110.843 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.02 -37.24 67.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 73.299999999999997 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.5 -28.71 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 52.219999999999999 111.103 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -41.75 89.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 110.876 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.88 -26.45 54.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.894 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -74.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 75.549999999999997 110.823 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 56.7 mt -52.74 -37.31 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 72.319999999999993 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.12 99.19 7.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 72.239999999999995 110.869 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -63.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.239999999999995 110.907 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 74.239999999999995 110.948 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ttm . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.797 0.332 . . . . 74.349999999999994 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -120.04 136.8 54.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 54.520000000000003 110.903 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -116.63 -27.38 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.150000000000006 110.856 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp -59.78 -32.96 71.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 72.400000000000006 110.875 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -35.28 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 71.420000000000002 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -32.31 73.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.219999999999999 110.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.464 ' OE2' HD22 ' B' ' 25' ' ' LEU . 21.2 mt-10 -65.16 -33.33 75.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.129999999999995 110.847 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.92 -53.06 45.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 62.299999999999997 111.1 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.86 -31.09 62.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 65.310000000000002 111.1 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.73 -41.75 52.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 72.129999999999995 110.923 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' B' ' 22' ' ' ALA . 1.8 mt -67.53 -31.09 70.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 75.109999999999999 110.874 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -58.45 -34.71 71.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 63.530000000000001 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -34.95 73.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 55.450000000000003 110.898 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.57 -48.08 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 73.549999999999997 110.907 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -55.57 -48.51 74.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.219999999999999 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -28.27 68.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 71.239999999999995 110.898 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -61.68 -46.48 89.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.019999999999996 110.849 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.584 HD13 ' HB3' ' B' ' 14' ' ' GLU . 68.8 mt -74.62 -31.03 61.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.443 . . . . 71.439999999999998 110.916 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.03 -41.62 99.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 71.109999999999999 111.131 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.77 -40.97 96.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 71.099999999999994 110.897 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -31.28 70.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.209999999999994 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.31 -32.25 71.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 73.099999999999994 111.09 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.5 71.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 65.010000000000005 111.056 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -66.6 -37.06 84.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 74.120000000000005 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -34.53 77.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 72.120000000000005 110.879 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.982 HD22 HD22 ' A' ' 37' ' ' LEU . 3.1 mt -67.4 -41.52 84.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 75.140000000000001 110.901 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -98.63 18.3 17.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 61.43 110.867 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.63 -60.47 4.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 33.549999999999997 112.522 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.88 -49.71 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 34.030000000000001 112.486 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.12 54.22 0.79 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 34.130000000000003 112.463 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.32 -161.46 50.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 72.340000000000003 112.429 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.44 119.21 3.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 55.130000000000003 112.453 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.5 95.15 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.771 -0.728 . . . . 73.109999999999999 112.49 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.98 -127.03 7.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 33.130000000000003 112.482 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.93 -48.26 0.97 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 34.219999999999999 112.491 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.83 -31.3 68.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 75.319999999999993 110.884 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.982 HD22 HD22 ' A' ' 26' ' ' LEU . 7.9 mt -55.29 -30.3 59.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 64.319999999999993 110.916 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.5 ttp -76.39 -32.93 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 73.510000000000005 110.895 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -75.4 -33.94 61.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 75.140000000000001 110.945 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -49.27 75.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 73.310000000000002 110.916 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.8 m -70.61 -46.46 63.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.049999999999997 110.871 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.36 -31.04 63.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.230000000000004 110.889 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.57 -44.3 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 110.854 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.37 97.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.219999999999999 111.128 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.11 -25.23 63.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 72.540000000000006 111.185 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -65.75 -40.46 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.510000000000005 110.919 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -26.81 68.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 73.400000000000006 110.952 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.85 -38.34 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 34.219999999999999 111.134 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.53 -33.28 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 75.310000000000002 110.91 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.74 -32.58 63.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 74.510000000000005 110.89 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.38 -29.3 62.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 64.329999999999998 110.95 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.87 -33.23 66.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.140000000000001 110.902 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -47.12 87.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 42.420000000000002 110.902 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -33.63 52.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 61.329999999999998 110.907 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.09 -29.97 70.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 54.119999999999997 111.042 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -47.34 71.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.109999999999999 110.89 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -27.05 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 62.299999999999997 110.851 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -81.63 -74.78 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 72.5 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.8 mp -52.95 -39.2 62.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 72.549999999999997 110.903 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.19 171.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 73.129999999999995 110.917 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.91 146.3 31.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 63.539999999999999 110.848 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 64.409999999999997 110.85 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.817 0.342 . . . . 73.219999999999999 110.814 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 mttt 62.13 19.25 10.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 73.120000000000005 110.934 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -108.56 -30.68 8.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 55.130000000000003 110.856 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -174.52 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.906 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -49.97 73.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 110.877 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 73.340000000000003 110.854 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -60.16 -40.94 91.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.140000000000001 110.851 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -54.08 45.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.010000000000005 111.095 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.04 -30.7 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 64.340000000000003 111.095 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 -40.0 63.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 75.430000000000007 110.831 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -31.74 71.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 72.420000000000002 110.92 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -55.28 -37.5 67.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 71.340000000000003 110.89 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -31.34 71.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 71.510000000000005 110.855 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.584 ' HB3' HD13 ' A' ' 18' ' ' LEU . 5.0 mm-40 -52.05 -39.75 60.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 63.509999999999998 110.891 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -58.51 -47.46 84.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 73.329999999999998 110.896 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -64.03 -28.53 69.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 71.530000000000001 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -49.6 76.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.209999999999994 110.851 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.93 -32.12 61.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 75.430000000000007 110.912 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.32 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 54.020000000000003 111.098 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.41 -38.27 89.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.239999999999995 110.874 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.19 -34.28 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 72.120000000000005 110.947 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.409 ' HB2' HD22 ' A' ' 11' ' ' LEU . . . -68.1 -30.86 70.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 34.340000000000003 111.093 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.08 -31.39 64.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 63.240000000000002 111.045 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.51 -32.09 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 71.439999999999998 110.86 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.464 HD22 ' OE2' ' A' ' 7' ' ' GLU . 1.8 mt -72.98 -31.72 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 64.329999999999998 110.927 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.491 HD13 ' HB3' ' B' ' 37' ' ' LEU . 40.2 mt -78.18 -26.31 47.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 73.140000000000001 110.922 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -79.1 -31.18 44.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 62.240000000000002 110.874 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.87 25.34 73.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 64.420000000000002 112.45 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 133.22 -42.89 1.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.828 -0.701 . . . . 62.439999999999998 112.502 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.08 173.22 8.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.72 . . . . 30.02 112.509 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -163.98 142.47 7.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 74.209999999999994 112.443 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.22 -62.43 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 71.129999999999995 112.467 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.8 76.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 72.420000000000002 112.493 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.71 -31.86 5.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.864 -0.684 . . . . 53.439999999999998 112.49 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.38 175.07 21.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 74.430000000000007 112.494 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -76.83 -32.66 57.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 74.319999999999993 110.863 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.491 ' HB3' HD13 ' B' ' 26' ' ' LEU . 4.1 mm? -54.67 -31.86 58.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 74.439999999999998 110.928 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -30.69 57.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 74.310000000000002 110.864 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -76.12 -34.0 59.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 70.239999999999995 110.843 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.47 -42.71 96.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 75.239999999999995 110.876 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 2.6 m -69.92 -49.58 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 65.120000000000005 110.916 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.92 -30.77 69.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 71.5 110.94 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -49.1 64.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 74.120000000000005 110.872 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.5 76.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 61.539999999999999 111.092 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.37 -30.83 68.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 35.140000000000001 111.081 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -34.19 77.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 74.310000000000002 110.874 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -38.66 88.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 72.150000000000006 110.889 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.2 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 71.140000000000001 111.136 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.28 -33.29 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 75.430000000000007 110.935 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -80.85 -32.23 35.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 71.200000000000003 110.857 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -33.21 67.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -33.36 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 65.150000000000006 110.822 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -63.42 -38.86 92.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 44.200000000000003 110.911 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 mp -77.61 -49.49 14.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 110.96 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.82 -31.14 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 64.420000000000002 111.036 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.95 -35.52 59.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 72.310000000000002 110.914 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.72 -26.28 60.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 110.908 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -91.37 -34.55 14.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 110.898 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 72.0 mt -95.6 25.16 4.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.938 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.7 116.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 73.109999999999999 110.936 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.2 -55.64 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 72.430000000000007 110.884 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.895 0.378 . . . . 75.430000000000007 110.918 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -142.28 139.91 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 74.0 110.8 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.51 -42.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 71.340000000000003 110.95 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.94 -32.32 12.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 75.120000000000005 110.93 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -57.15 11.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 72.120000000000005 110.908 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -39.77 79.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 62.439999999999998 110.891 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.23 -41.55 99.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 73.209999999999994 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.571 ' HA ' HD23 ' A' ' 11' ' ' LEU . . . -69.25 -52.22 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 53.25 111.104 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.65 -34.42 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -33.74 58.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 72.310000000000002 110.926 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -54.88 -29.03 54.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 71.129999999999995 110.91 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.4 -28.21 52.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 70.299999999999997 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 74.299999999999997 110.905 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -52.02 -51.71 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 72.239999999999995 110.921 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -55.42 -54.44 43.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 75.329999999999998 110.936 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -56.33 -31.72 63.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 71.109999999999999 110.916 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -54.43 -50.47 67.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.917 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -31.05 59.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 51.140000000000001 110.886 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.71 98.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 43.439999999999998 111.095 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.32 -38.47 84.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 75.400000000000006 110.84 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.25 -31.14 68.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 73.299999999999997 110.895 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -32.47 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 111.139 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.6 -30.89 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.510000000000005 111.115 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -64.4 -32.35 73.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 61.240000000000002 110.893 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -75.07 -30.95 61.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 75.450000000000003 110.891 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' A' ' 37' ' ' LEU . 11.2 mt -77.3 -25.53 51.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 74.109999999999999 110.912 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -96.24 -25.6 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.109999999999999 110.906 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.18 -60.07 8.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 73.129999999999995 112.484 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.08 -28.24 53.39 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 63.310000000000002 112.531 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 173.96 95.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.736 . . . . 73.540000000000006 112.468 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.6 64.65 0.37 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 53.219999999999999 112.465 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -128.63 19.77 5.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 73.340000000000003 112.47 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.08 -49.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 60.43 112.5 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.81 19.36 21.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 72.140000000000001 112.562 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.82 66.13 3.11 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 44.43 112.485 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -53.38 -28.42 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 75.120000000000005 110.922 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.656 ' HB3' HD22 ' A' ' 26' ' ' LEU . 20.9 mt -51.9 -30.05 22.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 64.129999999999995 110.927 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.0 ptp -53.75 -32.03 50.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 75.219999999999999 110.833 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -77.02 -33.27 57.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 70.239999999999995 110.895 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -44.27 79.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 65.430000000000007 110.851 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -46.07 33.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 51.439999999999998 110.862 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.04 -44.42 78.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 74.319999999999993 110.968 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -48.03 64.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 73.299999999999997 110.885 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.13 71.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 61.340000000000003 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.26 -25.71 55.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 75.150000000000006 111.069 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -63.33 -49.95 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 70.030000000000001 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -42.1 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 63.409999999999997 110.826 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.05 73.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 45.310000000000002 111.019 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.55 -33.27 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.099999999999994 110.938 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -73.98 -29.83 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 75.450000000000003 110.854 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' B' ' 44' ' ' ALA . 15.0 tp -69.62 -29.07 66.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 45.140000000000001 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -33.3 67.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 74.030000000000001 110.926 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -59.93 -38.14 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 73.219999999999999 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -48.49 49.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.916 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.38 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 53.32 111.107 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -69.89 -40.18 75.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 55.140000000000001 110.852 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.59 -28.43 56.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 61.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -74.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 62.229999999999997 110.841 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.09 -39.08 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 65.030000000000001 110.9 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -114.9 172.79 6.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.219999999999999 110.872 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -149.76 178.04 9.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 61.329999999999998 110.885 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 44.420000000000002 110.943 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.1 mmt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.805 0.336 . . . . 74.430000000000007 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -65.41 143.64 57.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 71.430000000000007 110.951 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -28.09 25.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 65.150000000000006 110.868 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.02 -32.83 70.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 71.209999999999994 110.877 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -70.5 -43.29 70.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.120000000000005 110.905 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.1 -44.35 91.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 74.409999999999997 110.903 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -77.72 -33.81 52.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 74.120000000000005 110.965 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.71 -49.81 61.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 51.109999999999999 111.082 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.3 -30.72 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 73.120000000000005 111.105 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -74.43 -33.44 62.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 62.439999999999998 110.899 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.33 -31.14 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 73.239999999999995 110.902 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -57.94 -29.95 65.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 72.319999999999993 110.799 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.52 -31.31 69.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 75.219999999999999 110.968 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -52.25 -44.97 65.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 75.540000000000006 110.912 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -56.83 -49.22 76.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.898 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -26.26 65.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 74.310000000000002 110.915 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.63 -46.05 90.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 55.009999999999998 110.918 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -75.07 -32.44 61.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 72.129999999999995 110.903 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.87 95.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 71.219999999999999 111.095 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -42.87 91.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 65.219999999999999 110.878 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.28 -31.1 71.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 65.409999999999997 110.872 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.98 69.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 40.530000000000001 111.041 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.91 -32.08 43.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 55.420000000000002 111.106 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -73.7 -32.71 64.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 72.239999999999995 110.808 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.26 -32.28 62.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.283 -0.417 . . . . 74.420000000000002 110.895 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.726 HD21 ' CB ' ' B' ' 37' ' ' LEU . 9.3 tt -76.94 -26.14 53.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 73.230000000000004 110.969 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.29 -26.31 52.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 64.209999999999994 110.908 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.08 -29.55 56.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 45.119999999999997 112.422 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.9 52.47 0.63 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.82 -0.705 . . . . 70.140000000000001 112.477 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.4 -122.14 0.67 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.745 -0.741 . . . . 72.109999999999999 112.47 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.93 115.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.832 -0.699 . . . . 33.340000000000003 112.474 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.12 109.8 0.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 61.350000000000001 112.555 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.99 90.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.711 -0.757 . . . . 61.310000000000002 112.545 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.28 -170.19 26.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 44.420000000000002 112.473 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.4 79.76 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.766 -0.73 . . . . 75.150000000000006 112.471 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -64.73 -32.29 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 72.5 110.905 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.726 ' CB ' HD21 ' B' ' 26' ' ' LEU . 6.2 mt -53.9 -30.55 46.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 65.310000000000002 110.909 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 26.9 mtm -75.15 -31.97 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 72.109999999999999 110.868 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -76.78 -29.79 56.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 72.420000000000002 110.854 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.99 -49.72 74.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 62.409999999999997 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.14 -41.17 82.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 55.299999999999997 110.903 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -62.86 -33.65 75.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 52.32 110.877 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.26 -41.78 76.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 73.140000000000001 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.407 ' HB2' HD22 ' A' ' 51' ' ' LEU . . . -68.52 -34.92 76.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 52.310000000000002 111.099 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.52 -25.85 62.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 32.240000000000002 111.106 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -32.07 73.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 63.420000000000002 110.911 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -36.58 79.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 71.329999999999998 110.955 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.99 -43.94 94.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.049999999999997 111.107 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -33.23 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 110.855 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -82.03 -32.05 30.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 74.319999999999993 110.873 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 -29.37 63.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 73.150000000000006 110.925 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -33.44 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 65.420000000000002 110.963 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -41.5 89.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 73.340000000000003 110.883 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.82 -43.7 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 63.350000000000001 110.879 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.4 -32.1 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 71.409999999999997 111.11 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.04 -33.79 59.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 64.120000000000005 110.862 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.79 -26.29 54.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 74.340000000000003 110.88 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 -91.34 -34.71 14.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.040000000000006 110.84 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.4 mt -95.66 25.23 4.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 54.140000000000001 110.921 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.07 103.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 75.400000000000006 110.893 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.94 62.16 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 73.409999999999997 110.822 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 64.099999999999994 110.952 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.914 0.388 . . . . 72.0 110.83 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.04 152.75 21.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 71.040000000000006 110.893 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.63 -32.48 4.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 72.219999999999999 110.888 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 4' ' ' LEU . 3.2 pp -101.88 28.11 5.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 74.530000000000001 110.909 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.688 ' CG ' HD12 ' A' ' 59' ' ' LEU . 2.0 tmt_? -71.6 -51.87 21.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 72.439999999999998 110.914 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.87 -40.67 89.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 52.310000000000002 110.921 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.7 -55.11 39.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 63.32 110.91 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' HB1' ' HG ' ' B' ' 26' ' ' LEU . . . -63.67 -40.43 96.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 75.430000000000007 111.045 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -30.82 71.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.420000000000002 111.095 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -32.37 60.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 61.340000000000003 110.879 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.637 HD12 ' HB2' ' B' ' 22' ' ' ALA . 0.3 OUTLIER -52.71 -30.75 34.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 63.020000000000003 110.874 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.62 -30.34 65.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 71.209999999999994 110.846 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.62 -34.91 76.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.209999999999994 110.838 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.42 -50.05 63.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.040000000000006 110.877 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.0 m0 -52.48 -46.33 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.530000000000001 110.922 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HD3' ' HB3' ' A' ' 48' ' ' ALA . 0.7 OUTLIER -63.55 -33.4 75.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 73.019999999999996 110.831 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -46.28 78.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 52.539999999999999 110.966 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.3 mt -75.48 -31.65 60.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 110.889 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.438 ' HB1' ' HB2' ' A' ' 45' ' ' ALA . . . -61.8 -43.91 97.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 73.030000000000001 111.074 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.57 -34.13 75.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -31.0 64.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.019999999999996 110.915 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.96 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 72.329999999999998 111.1 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.4 -31.93 58.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 72.329999999999998 111.119 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.61 -32.58 64.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.319999999999993 110.91 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -32.44 68.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 72.510000000000005 110.907 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 tp -78.94 -27.58 43.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 64.109999999999999 110.916 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -79.92 -26.2 40.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 75.400000000000006 110.926 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.51 -56.2 0.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 54.329999999999998 112.519 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.92 -40.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 55.299999999999997 112.504 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.67 -173.38 36.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 44.530000000000001 112.544 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.42 149.79 19.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 62.039999999999999 112.471 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.24 -150.87 9.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 55.32 112.522 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.36 160.54 22.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.799 -0.715 . . . . 73.120000000000005 112.457 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.86 -54.26 2.26 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.779 -0.724 . . . . 65.319999999999993 112.485 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -53.37 109.98 1.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.821 -0.704 . . . . 45.240000000000002 112.445 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -79.19 -30.9 43.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 72.030000000000001 110.838 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.1 mt -51.97 -29.52 20.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 53.049999999999997 110.913 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.61 -35.96 60.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.530000000000001 110.952 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -71.36 -32.97 69.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 61.020000000000003 110.959 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.683 HD21 ' HD3' ' B' ' 58' ' ' ARG . 1.5 mt -56.63 -51.19 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 110.944 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.1 m -75.44 -31.53 60.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 53.200000000000003 110.892 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.94 -30.97 71.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 73.310000000000002 110.795 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.61 -48.32 75.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 72.409999999999997 110.879 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.71 -40.8 84.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 75.409999999999997 111.125 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.438 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . . . -71.53 -26.67 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 54.420000000000002 111.132 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -38.8 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 54.210000000000001 110.858 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -59.97 -42.12 93.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 71.209999999999994 110.873 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.49 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . . . -58.77 -33.91 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 71.140000000000001 111.069 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.76 -33.32 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 62.210000000000001 110.858 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -80.05 -31.56 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 74.099999999999994 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -29.82 64.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 73.439999999999998 110.833 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -33.38 66.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.421 . . . . 63.109999999999999 110.893 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -62.45 -49.28 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.019999999999996 110.921 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -43.34 80.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 75.450000000000003 110.899 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.99 -25.09 42.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 72.099999999999994 111.112 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -60.14 -44.52 94.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 110.919 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -77.12 -26.23 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 75.120000000000005 110.841 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -69.15 -33.95 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 65.310000000000002 110.889 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.688 HD12 ' CG ' ' A' ' 5' ' ' ARG . 4.4 mm? -99.55 -25.3 14.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.430000000000007 110.9 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.09 162.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 72.5 110.875 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -60.62 117.83 5.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 65.349999999999994 110.907 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 64.219999999999999 110.923 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.853 0.359 . . . . 71.510000000000005 110.847 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -58.18 143.71 43.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 75.549999999999997 110.932 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.552 ' O ' HD12 ' B' ' 4' ' ' LEU . 0.0 OUTLIER -114.17 26.28 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 73.530000000000001 110.856 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.552 HD12 ' O ' ' B' ' 3' ' ' LYS . 0.5 OUTLIER 71.15 -68.62 0.21 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 52.130000000000003 110.901 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -53.3 -29.7 34.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 72.140000000000001 110.863 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.43 -40.94 85.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 71.019999999999996 110.908 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -44.36 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 71.340000000000003 110.872 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.39 83.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 70.129999999999995 111.083 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.76 -36.18 71.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 55.43 111.104 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -71.96 -32.81 67.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.510000000000005 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -31.56 53.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 65.109999999999999 110.83 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -57.26 -34.32 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 110.925 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.14 -32.02 66.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 75.319999999999993 110.917 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -40.18 63.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.495 . . . . 65.530000000000001 110.909 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -57.32 -50.46 72.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 74.340000000000003 110.919 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -26.38 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 71.120000000000005 110.941 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -49.83 76.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 65.540000000000006 110.871 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -30.15 60.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 71.310000000000002 110.925 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.1 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 74.530000000000001 111.055 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.21 -39.1 86.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 72.019999999999996 110.9 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -71.88 -31.0 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 64.030000000000001 110.902 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 11' ' ' LEU . . . -74.62 -31.59 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 24.440000000000001 111.067 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.26 -32.52 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 72.340000000000003 111.141 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -68.69 -36.58 78.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 70.209999999999994 110.954 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.36 -34.72 77.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 65.319999999999993 110.857 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.419 ' HG ' ' HB1' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -67.46 -42.85 82.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 70.430000000000007 110.964 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.6 18.42 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 71.409999999999997 110.878 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.94 -26.57 67.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 65.239999999999995 112.468 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.84 24.55 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 70.25 112.484 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.28 -22.0 6.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 72.219999999999999 112.501 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.33 114.09 3.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 45.229999999999997 112.517 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.56 80.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.768 . . . . 74.129999999999995 112.402 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.9 53.76 2.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 73.219999999999999 112.413 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.45 -108.44 0.88 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.762 -0.732 . . . . 62.210000000000001 112.487 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.45 68.23 0.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 70.319999999999993 112.469 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -78.14 -30.85 49.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 74.0 110.928 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mp -52.02 -29.45 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.219999999999999 110.926 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 12.9 mtt -75.2 -35.99 61.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 72.219999999999999 110.95 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.59 -33.24 70.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 72.109999999999999 110.894 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.71 -35.03 74.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.319999999999993 110.91 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -74.34 -44.3 53.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 63.450000000000003 110.881 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -65.21 -29.85 70.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 110.83 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.8 -49.61 75.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 75.200000000000003 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -40.26 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 64.109999999999999 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.56 -28.19 62.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 61.109999999999999 111.076 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -36.24 83.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 63.229999999999997 110.93 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -59.33 -35.05 73.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 73.239999999999995 110.941 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -32.51 73.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 75.140000000000001 111.131 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -71.85 -33.41 68.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 62.219999999999999 110.84 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -80.13 -30.98 39.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 72.430000000000007 110.883 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 mt -74.25 -31.48 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 74.010000000000005 110.933 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -33.28 74.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 75.430000000000007 110.879 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -63.67 -41.97 98.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.049999999999997 110.884 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.22 -45.63 25.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 71.010000000000005 110.885 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.15 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 74.230000000000004 111.077 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -56.12 -50.98 69.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 64.319999999999993 110.908 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -77.55 -26.41 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 60.450000000000003 110.898 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.683 ' HD3' HD21 ' A' ' 40' ' ' LEU . 11.0 mmp_? -66.2 -36.78 83.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 72.319999999999993 110.924 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.475 HD12 ' C ' ' B' ' 58' ' ' ARG . 9.3 mp -123.23 24.21 8.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 61.030000000000001 110.889 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.96 124.45 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 64.319999999999993 110.886 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -51.91 -46.31 64.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.299999999999997 110.867 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 75.230000000000004 110.857 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ptt? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 73.409999999999997 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.66 -46.33 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 63.329999999999998 110.907 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.552 ' O ' HD12 ' A' ' 4' ' ' LEU . 3.3 ptpt -112.97 21.24 15.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 61.130000000000003 110.937 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 71.45 -67.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 75.420000000000002 110.949 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -51.86 -32.35 31.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 74.109999999999999 110.917 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -54.74 -49.82 69.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 73.340000000000003 110.905 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -71.85 -36.16 70.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 71.019999999999996 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -34.71 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 54.229999999999997 111.188 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.27 -32.51 70.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 65.430000000000007 111.126 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -73.16 -32.66 65.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.627 HD13 ' HB1' ' B' ' 22' ' ' ALA . 14.2 mt -53.63 -32.59 51.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 72.239999999999995 110.903 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.92 -29.5 69.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 65.219999999999999 110.84 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -33.22 67.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 75.129999999999995 110.923 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -53.64 -46.16 70.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 55.409999999999997 110.912 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.06 -50.43 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 74.349999999999994 110.938 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -58.74 -32.83 69.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 64.430000000000007 110.929 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -51.27 66.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.549999999999997 110.911 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.23 -28.97 62.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 73.230000000000004 110.821 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.41 89.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 62.210000000000001 111.062 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.53 -45.87 85.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 71.099999999999994 110.892 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -66.35 -31.07 71.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 64.219999999999999 110.872 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.509 ' HB2' HD22 ' B' ' 11' ' ' LEU . . . -70.96 -31.18 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 62.539999999999999 111.107 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.19 -32.42 71.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 72.519999999999996 111.111 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -65.87 -40.7 91.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 73.349999999999994 110.947 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -35.9 82.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 75.530000000000001 110.941 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.58 -37.9 83.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 53.25 110.948 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -98.59 16.51 21.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 63.020000000000003 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.61 -30.53 76.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 43.140000000000001 112.49 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.74 -19.6 10.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 73.439999999999998 112.48 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.62 -159.07 10.92 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.698 -0.763 . . . . 71.010000000000005 112.445 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.68 -160.6 25.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 73.439999999999998 112.491 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.12 -34.4 5.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 51.149999999999999 112.504 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.34 78.61 0.38 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 51.100000000000001 112.487 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.64 107.59 0.31 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.73 -0.748 . . . . 53.210000000000001 112.492 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.28 124.77 0.73 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 71.329999999999998 112.468 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -73.03 -32.03 64.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.936 0.398 . . . . 71.219999999999999 110.973 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.16 -31.57 52.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 74.010000000000005 110.951 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.2 mtt -69.8 -32.71 71.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 74.239999999999995 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -42.58 54.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 72.099999999999994 110.897 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.63 -30.48 67.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 65.409999999999997 110.915 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.51 -49.07 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.319999999999993 110.846 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 70.299999999999997 110.848 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.74 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 55.420000000000002 110.863 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.95 -49.49 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 53.520000000000003 111.126 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.47 66.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 64.099999999999994 111.129 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -62.49 -41.96 99.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 72.5 110.914 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -57.06 -29.52 63.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 72.299999999999997 110.849 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.87 -41.6 82.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 64.409999999999997 111.119 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -33.37 70.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 74.329999999999998 110.953 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.3 -31.91 69.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 74.299999999999997 110.932 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mt -72.01 -29.01 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.957 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -33.37 57.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 73.319999999999993 110.853 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -59.65 -51.26 70.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 73.209999999999994 110.904 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -40.06 69.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 62.130000000000003 110.864 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.94 -30.72 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.109999999999999 111.076 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.92 -48.92 74.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 44.350000000000001 110.889 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.38 -28.45 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 73.420000000000002 110.909 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -75.77 -74.78 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 74.030000000000001 110.915 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.5 mt -55.64 -27.14 48.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 61.210000000000001 110.916 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.3 mttp 56.45 82.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 52.310000000000002 110.948 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -59.45 132.76 54.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 74.209999999999994 110.907 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 64.120000000000005 110.944 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.862 0.363 . . . . 61.399999999999999 110.908 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.16 162.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.299999999999997 110.812 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.17 -42.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 72.340000000000003 110.94 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.17 -33.59 15.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.943 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.465 ' HB3' HD23 ' B' ' 59' ' ' LEU . 2.6 mpt_? -66.86 -40.69 87.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 61.25 110.876 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -69.65 -30.96 68.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 110.885 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.38 -52.81 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 75.349999999999994 110.899 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.466 ' HA ' HD12 ' B' ' 11' ' ' LEU . . . -53.2 -47.64 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 52.240000000000002 111.066 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.74 60.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 51.439999999999998 111.052 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.9 -37.71 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 72.219999999999999 110.932 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' A' ' 22' ' ' ALA . 8.6 mt -56.8 -32.67 65.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 64.019999999999996 110.85 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -61.89 -37.14 83.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 65.519999999999996 110.855 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.63 -32.55 74.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 50.530000000000001 110.957 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -53.57 -44.59 69.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 75.5 110.844 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -56.61 -46.56 80.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 74.430000000000007 110.873 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -60.77 -29.02 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 74.150000000000006 110.9 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -60.11 -51.01 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 71.140000000000001 110.825 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 74.1 mt -69.78 -31.64 69.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.272 -0.422 . . . . 73.230000000000004 110.929 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . . . -59.61 -44.7 93.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 72.329999999999998 111.071 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.71 -43.27 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 65.439999999999998 110.879 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 52.329999999999998 110.841 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.627 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -69.36 -31.61 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.319999999999993 111.062 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.1 -30.41 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 70.349999999999994 111.067 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -71.35 -31.76 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 65.310000000000002 110.921 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -31.87 64.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.966 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.663 HD12 ' HB3' ' B' ' 37' ' ' LEU . 4.1 mm? -78.54 -27.76 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 110.932 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.73 -27.68 44.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 71.219999999999999 110.832 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.32 -24.6 59.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 61.32 112.465 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.72 74.35 0.99 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 43.210000000000001 112.485 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.97 -142.33 16.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 61.119999999999997 112.531 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.01 85.54 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 73.549999999999997 112.476 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.09 -152.15 24.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.657 -0.783 . . . . 73.310000000000002 112.477 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.58 -20.84 78.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.712 . . . . 63.030000000000001 112.501 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.15 -79.21 1.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 50.32 112.485 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.38 71.86 1.27 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 33.340000000000003 112.478 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.57 -28.32 62.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.903 0.382 . . . . 75.120000000000005 110.952 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.663 ' HB3' HD12 ' B' ' 26' ' ' LEU . 4.5 mm? -60.06 -29.39 68.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 71.209999999999994 110.907 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 30.3 mtt -68.97 -44.59 72.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.519999999999996 110.838 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.01 -29.59 55.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.109999999999999 110.91 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.17 -47.53 78.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 70.129999999999995 110.895 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -39.15 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 62.450000000000003 110.864 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.18 -30.3 71.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 70.409999999999997 110.856 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -37.74 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.129999999999995 110.857 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.42 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 73.439999999999998 111.138 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.425 ' HB2' ' CB ' ' B' ' 19' ' ' ALA . . . -69.0 -26.98 65.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 43.539999999999999 111.085 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -60.64 -39.92 90.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 71.549999999999997 110.844 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -33.36 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 70.450000000000003 110.865 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 75.129999999999995 111.055 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.44 -33.3 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 75.540000000000006 110.87 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -71.21 -29.69 65.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 72.030000000000001 110.917 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.59 -28.6 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 70.329999999999998 110.912 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -33.33 64.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 74.109999999999999 110.874 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -46.82 88.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 70.120000000000005 110.921 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -38.91 48.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 71.109999999999999 110.841 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.84 -27.32 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 54.340000000000003 111.141 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -63.52 -44.21 94.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 73.120000000000005 110.852 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.43 -27.03 52.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 110.872 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 43.5 mmt-85 -69.34 -33.04 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 72.319999999999993 110.867 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' B' ' 5' ' ' ARG . 8.1 mp -99.31 -25.9 14.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 61.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -118.29 107.81 14.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 74.140000000000001 110.868 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -98.32 -70.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 74.409999999999997 110.882 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 72.5 110.869 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.838 0.351 . . . . 61.119999999999997 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.47 138.19 58.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 64.319999999999993 110.875 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.542 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -116.28 26.03 10.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 70.109999999999999 110.921 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 71.16 -68.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 63.240000000000002 110.988 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.465 ' O ' HD12 ' A' ' 59' ' ' LEU . 3.0 mtp85 -52.3 -39.86 61.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 110.905 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -68.58 -35.28 77.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.450000000000003 110.903 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -33.87 63.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 73.409999999999997 110.91 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.555 ' HB1' HD11 ' B' ' 26' ' ' LEU . . . -51.93 -43.84 63.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 70.420000000000002 111.127 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.62 -34.87 76.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 71.109999999999999 111.055 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -32.15 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 72.030000000000001 110.899 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.612 HD12 ' HB2' ' B' ' 22' ' ' ALA . 0.2 OUTLIER -54.12 -30.57 49.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 64.310000000000002 110.885 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.4 -28.65 55.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 110.91 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -33.14 68.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 73.120000000000005 110.891 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.24 -45.42 65.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 72.409999999999997 110.884 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -59.19 -50.53 73.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 74.230000000000004 110.858 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -52.44 -29.59 25.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 74.340000000000003 110.878 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -55.09 -51.43 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 64.450000000000003 110.883 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.2 mt -74.51 -32.59 62.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 73.329999999999998 110.896 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.96 99.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 61.210000000000001 111.104 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.3 -37.22 83.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 72.349999999999994 110.87 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -32.34 70.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 74.430000000000007 110.882 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.698 ' HA ' HD13 ' B' ' 11' ' ' LEU . . . -68.78 -30.87 69.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 74.329999999999998 111.112 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.98 -32.46 57.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 111.128 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -33.25 68.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 75.109999999999999 110.848 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -30.93 60.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 61.520000000000003 110.892 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp -79.31 -26.54 42.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 72.319999999999993 110.846 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -94.11 -25.98 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 61.340000000000003 110.912 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.31 -53.54 0.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 74.230000000000004 112.471 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.97 -64.16 0.19 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 74.129999999999995 112.467 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.32 90.44 1.18 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.735 . . . . 74.409999999999997 112.541 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -136.3 167.73 24.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 75.099999999999994 112.556 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.27 105.21 0.25 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.803 -0.713 . . . . 72.120000000000005 112.549 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.7 76.93 0.96 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 73.120000000000005 112.541 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.68 62.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 52.149999999999999 112.447 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -179.49 131.17 1.63 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 42.520000000000003 112.509 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -83.2 -47.02 12.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 72.319999999999993 110.868 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mp -55.34 -33.79 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 74.510000000000005 110.917 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.4 ptm -76.5 -28.44 56.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 75.530000000000001 110.876 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -32.77 57.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 62.329999999999998 110.857 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -35.46 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 61.530000000000001 110.917 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -42.38 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 71.519999999999996 110.883 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.58 -30.03 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 110.88 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.09 -46.17 85.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 72.510000000000005 110.833 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.96 96.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 62.329999999999998 111.121 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -28.39 66.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 45.130000000000003 111.074 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -63.3 -29.33 70.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.904 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -61.61 -32.68 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 71.319999999999993 110.896 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.14 67.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 63.350000000000001 111.108 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.93 -33.4 68.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.89 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -79.18 -28.92 42.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 75.420000000000002 110.937 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.6 mt -73.82 -28.56 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 71.310000000000002 110.925 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -33.34 70.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 75.319999999999993 110.912 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -48.3 81.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 64.310000000000002 110.91 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.78 -25.77 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.439999999999998 110.916 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.66 67.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 73.120000000000005 111.082 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.11 -31.42 58.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 65.120000000000005 110.866 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.8 -22.54 49.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 72.030000000000001 110.921 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.568 ' HB3' HD23 ' A' ' 59' ' ' LEU . 28.1 mtt-85 -71.26 -76.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 75.510000000000005 110.864 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -123.5 12.68 9.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 64.510000000000005 110.973 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt 51.87 -169.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 71.019999999999996 110.854 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -116.3 -45.92 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 43.299999999999997 110.839 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 71.239999999999995 110.868 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.798 0.332 . . . . 62.229999999999997 110.839 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -76.43 158.89 30.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 73.430000000000007 110.898 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.51 28.17 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 61.539999999999999 110.941 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mp -143.9 -55.31 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 71.140000000000001 110.973 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -51.84 61.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 75.319999999999993 110.893 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.02 -31.63 71.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 74.319999999999993 110.901 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -45.41 68.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 54.100000000000001 110.834 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.7 -52.15 64.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 61.350000000000001 111.11 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.93 -29.24 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 44.329999999999998 111.075 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.63 -33.02 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 63.530000000000001 110.986 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.698 HD13 ' HA ' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -62.25 -31.14 71.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 63.119999999999997 110.847 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -55.92 -39.31 71.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 75.219999999999999 110.868 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -73.16 -35.62 66.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 54.539999999999999 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -25.29 33.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 54.219999999999999 110.847 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -59.64 -41.49 90.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 74.510000000000005 110.98 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -67.14 -21.56 65.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 74.140000000000001 110.951 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -50.67 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 71.140000000000001 110.904 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.5 -32.84 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.409999999999997 110.897 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.21 -44.49 95.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 50.109999999999999 111.092 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -68.72 -31.86 71.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 72.310000000000002 110.837 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.65 -31.84 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 64.340000000000003 110.875 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.612 ' HB2' HD12 ' A' ' 11' ' ' LEU . . . -70.72 -30.94 67.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 75.030000000000001 111.102 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.17 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 72.329999999999998 111.106 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -64.45 -33.58 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 64.030000000000001 110.905 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.5 -30.87 61.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 110.896 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.734 HD23 ' HB3' ' B' ' 37' ' ' LEU . 7.5 mp -75.95 -25.68 56.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.430000000000007 110.895 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -96.55 -25.92 15.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 74.430000000000007 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.82 -23.12 55.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 53.100000000000001 112.475 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.35 -26.13 40.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.669 -0.777 . . . . 70.239999999999995 112.463 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.54 88.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 63.130000000000003 112.502 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.43 62.24 0.11 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.72 . . . . 64.310000000000002 112.562 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.27 -93.22 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 75.349999999999994 112.453 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.31 -71.78 0.91 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.657 -0.782 . . . . 70.400000000000006 112.465 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.91 91.18 1.49 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 62.009999999999998 112.474 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.96 102.35 0.31 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 14.130000000000001 112.475 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -70.42 -28.34 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 75.140000000000001 110.845 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.734 ' HB3' HD23 ' B' ' 26' ' ' LEU . 41.4 mt -59.99 -29.53 68.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 64.319999999999993 110.868 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -68.87 -44.79 72.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.549999999999997 110.823 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -77.03 -29.78 55.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 73.019999999999996 110.891 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -39.2 81.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 53.310000000000002 110.86 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.411 ' SG ' HD22 ' B' ' 26' ' ' LEU . 1.7 m -67.07 -50.38 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 63.229999999999997 110.913 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.09 -29.88 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.25 110.969 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.49 -31.95 56.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 65.219999999999999 110.884 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.23 -40.87 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 111.096 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.27 57.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 71.25 111.108 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -54.72 -47.07 74.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 63.100000000000001 110.899 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -55.78 -32.73 63.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.230000000000004 110.952 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.23 -26.76 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 75.120000000000005 111.106 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.68 -33.26 62.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 74.010000000000005 110.88 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.12 -33.94 29.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 74.530000000000001 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -28.91 59.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 60.130000000000003 110.986 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -33.4 46.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.140000000000001 110.811 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -51.55 69.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 71.329999999999998 110.936 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.5 mt -77.75 -26.1 49.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 73.219999999999999 110.935 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.17 65.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 73.540000000000006 111.05 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -74.47 -52.33 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.450000000000003 110.856 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.54 -22.59 66.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.13 -0.486 . . . . 72.109999999999999 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.551 ' HB3' HD23 ' B' ' 59' ' ' LEU . 0.2 OUTLIER -50.98 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 71.450000000000003 110.902 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' B' ' 58' ' ' ARG . 0.1 OUTLIER -116.02 30.5 7.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 73.430000000000007 110.9 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.99 47.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 72.329999999999998 110.883 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -69.63 162.39 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 72.049999999999997 110.923 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 73.340000000000003 110.942 179.914 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 73.439999999999998 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.07 123.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 64.109999999999999 110.955 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.8 -34.19 6.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 74.420000000000002 110.922 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -178.75 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.519999999999996 110.928 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.785 ' HG2' HD22 ' A' ' 59' ' ' LEU . 4.2 mtt180 -61.58 -57.04 13.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 110.877 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -26.23 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.400000000000006 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -65.28 -52.61 53.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 75.430000000000007 110.876 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.27 -48.97 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 70.239999999999995 111.132 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.64 -29.17 24.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 61.240000000000002 111.078 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -41.89 60.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 73.109999999999999 110.87 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 mp -55.05 -32.87 62.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 71.319999999999993 110.875 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.528 ' HD2' HD13 ' A' ' 51' ' ' LEU . 6.8 m-85 -59.29 -46.08 89.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.340000000000003 110.906 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.504 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 3.5 mt-10 -75.04 -31.31 61.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 64.420000000000002 110.868 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -54.42 -26.05 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 61.25 110.858 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -58.48 -40.87 83.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 110.92 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -30.58 24.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 71.049999999999997 110.886 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -59.11 -51.45 69.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 60.119999999999997 110.846 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.49 -34.76 77.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.420000000000002 110.913 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.97 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 54.539999999999999 111.081 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -29.96 67.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 74.340000000000003 110.868 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -31.08 62.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 73.400000000000006 110.889 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.601 ' HB2' HD12 ' B' ' 11' ' ' LEU . . . -70.4 -33.13 71.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 64.530000000000001 111.092 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -70.34 -29.83 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 61.350000000000001 111.069 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -66.89 -31.24 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 64.030000000000001 110.91 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.69 -32.98 66.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 65.140000000000001 110.927 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.66 HD22 ' H ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.3 -36.63 46.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.951 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -25.78 33.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 110.852 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.72 -82.26 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.684 -0.77 . . . . 72.5 112.429 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.85 -55.88 0.04 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.732 -0.747 . . . . 63.119999999999997 112.446 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.34 86.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 54.210000000000001 112.486 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.23 69.14 1.26 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 35.340000000000003 112.501 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.1 -72.69 1.29 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.72 -0.753 . . . . 45.340000000000003 112.469 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.95 107.42 0.2 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 72.109999999999999 112.433 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.56 -124.2 7.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 60.340000000000003 112.487 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.57 101.43 0.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 75.129999999999995 112.503 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -77.39 -30.96 53.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.908 0.385 . . . . 74.120000000000005 110.921 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.66 ' H ' HD22 ' A' ' 26' ' ' LEU . 9.9 tp -58.77 -29.57 66.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 44.119999999999997 110.924 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.5 ttm -51.94 -31.03 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 64.340000000000003 110.867 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -77.02 -55.6 5.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 52.530000000000001 110.903 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.72 -26.47 63.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 41.509999999999998 110.952 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.5 t -69.43 -40.75 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 41.329999999999998 110.916 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -41.41 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.09 -42.28 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 64.200000000000003 110.842 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.56 71.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 32.549999999999997 111.085 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.39 -25.27 54.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 70.510000000000005 111.111 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -73.04 -43.19 62.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 110.936 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -64.07 -26.1 68.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.875 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 13' ' ' GLU . . . -71.45 -46.46 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 72.200000000000003 111.148 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -33.27 62.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 71.430000000000007 110.946 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -70.29 -30.92 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 45.439999999999998 110.88 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.528 HD13 ' HD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -66.05 -28.33 68.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.329999999999998 110.889 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -33.36 68.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 75.439999999999998 110.921 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -41.63 98.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 110.909 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -34.69 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 64.540000000000006 110.937 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.98 -25.28 68.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 64.299999999999997 111.042 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.13 -41.3 50.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 75.099999999999994 110.863 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -78.13 -21.53 50.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.430000000000007 110.871 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -98.77 -72.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 71.329999999999998 110.877 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.785 HD22 ' HG2' ' A' ' 5' ' ' ARG . 63.7 mt -89.04 47.6 1.52 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 53.420000000000002 110.934 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 177.9 34.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.019999999999996 110.877 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -56.26 -33.8 65.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 65.239999999999995 110.891 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 73.0 110.924 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.809 0.338 . . . . 75.019999999999996 110.886 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.65 146.72 13.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 74.310000000000002 110.89 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.555 ' O ' HD12 ' B' ' 4' ' ' LEU . 14.7 ptpt -112.61 21.74 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 110.861 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.555 HD12 ' O ' ' B' ' 3' ' ' LYS . 0.5 OUTLIER 71.47 -68.08 0.23 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 75.510000000000005 110.846 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -51.84 -33.52 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.120000000000005 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -57.91 -46.55 84.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 61.509999999999998 110.953 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -74.81 -30.87 61.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 73.230000000000004 110.888 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.59 ' HB1' HD12 ' A' ' 26' ' ' LEU . . . -51.98 -52.15 52.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 64.219999999999999 111.08 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -30.66 68.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 42.140000000000001 111.055 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -31.95 58.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 74.040000000000006 110.964 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.601 HD12 ' HB2' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -53.55 -33.07 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 53.509999999999998 110.923 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -59.27 -28.17 66.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 71.420000000000002 110.893 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -71.66 -31.15 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.519999999999996 110.95 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.502 ' HG3' HD13 ' B' ' 11' ' ' LEU . 14.0 mm-40 -51.98 -35.22 45.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 75.019999999999996 110.879 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -58.04 -41.58 83.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 74.409999999999997 110.893 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -58.9 -26.22 64.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 75.439999999999998 110.905 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -51.49 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 72.010000000000005 110.855 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -30.47 59.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 71.219999999999999 110.92 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.52 85.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 64.239999999999995 111.123 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.96 -36.37 81.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 75.319999999999993 110.937 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.23 -30.93 70.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 71.219999999999999 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.407 ' HB3' ' SG ' ' B' ' 41' ' ' CYS . . . -76.48 -30.72 57.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 33.409999999999997 111.06 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.38 65.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 74.310000000000002 111.08 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -31.2 62.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 72.329999999999998 110.946 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -41.47 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.349999999999994 110.891 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.604 HD13 ' HB3' ' B' ' 37' ' ' LEU . 4.5 pp -76.6 -24.39 53.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 64.439999999999998 110.888 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.502 ' N ' HD12 ' B' ' 26' ' ' LEU . 0.5 OUTLIER -84.35 -26.33 28.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 65.400000000000006 110.956 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 132.31 -82.69 0.31 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.737 -0.744 . . . . 51.399999999999999 112.471 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.71 43.14 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 54.539999999999999 112.441 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.72 -67.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 42.0 112.437 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.6 136.05 7.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 75.340000000000003 112.429 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.78 76.19 1.1 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.718 -0.753 . . . . 54.310000000000002 112.566 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -157.58 -125.26 0.84 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 71.219999999999999 112.488 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.85 126.31 2.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.818 -0.706 . . . . 61.420000000000002 112.511 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.22 141.35 3.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 71.109999999999999 112.481 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.664 ' HG2' HD23 ' B' ' 40' ' ' LEU . 30.9 tt0 -66.68 -32.74 74.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 71.519999999999996 110.857 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.604 ' HB3' HD13 ' B' ' 26' ' ' LEU . 4.3 mm? -52.65 -33.33 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 110.936 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 4.0 ttt -76.49 -32.48 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.869 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -76.7 -31.39 57.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 72.400000000000006 110.933 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.664 HD23 ' HG2' ' B' ' 36' ' ' GLU . 0.9 OUTLIER -69.01 -36.24 77.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.409999999999997 110.886 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' B' ' 22' ' ' ALA . 1.6 t -73.99 -46.12 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 70.209999999999994 110.871 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.61 -36.35 69.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 63.240000000000002 110.923 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.15 -35.0 75.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 65.420000000000002 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.26 -46.49 64.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 51.43 111.129 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.62 -25.04 62.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 60.420000000000002 111.105 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -63.2 -36.08 82.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 74.109999999999999 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -39.58 71.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 74.150000000000006 110.891 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.89 81.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 43.130000000000003 111.082 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -33.26 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 52.240000000000002 110.905 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -81.12 -30.58 34.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 72.219999999999999 110.867 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -29.57 60.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 51.140000000000001 110.947 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -33.3 63.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.510000000000005 110.92 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -60.97 -51.81 67.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 70.209999999999994 110.906 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.87 -35.03 67.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.450000000000003 110.962 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.65 -27.96 66.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.329999999999998 111.07 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.96 -35.43 59.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 62.32 110.883 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.9 -26.19 60.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 75.310000000000002 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -63.76 -30.49 71.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 70.310000000000002 110.876 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.36 11.27 10.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 71.230000000000004 110.922 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -60.58 133.38 56.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 72.299999999999997 110.886 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -55.76 164.72 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 72.420000000000002 110.911 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 63.240000000000002 110.928 179.915 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 70.439999999999998 110.876 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -167.76 -39.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 54.200000000000003 110.893 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -26.64 61.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 70.439999999999998 110.933 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pp -102.04 -26.22 13.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 74.25 110.981 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -62.13 -28.97 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 72.120000000000005 110.863 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -72.46 -41.1 66.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 65.25 110.892 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -73.26 -32.87 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 54.340000000000003 110.862 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.58 -43.32 60.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 62.409999999999997 111.093 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.94 85.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 111.105 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -72.7 -32.56 65.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 72.040000000000006 110.879 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.556 HD13 ' CB ' ' B' ' 22' ' ' ALA . 1.0 OUTLIER -54.37 -30.58 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 73.109999999999999 110.918 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -55.25 -30.97 61.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 64.200000000000003 110.862 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -34.05 68.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.519999999999996 110.908 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.27 -41.27 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 71.120000000000005 110.913 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -57.78 -51.04 71.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 60.43 110.951 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -68.52 -28.35 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 61.409999999999997 110.922 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -55.45 -51.54 66.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 75.420000000000002 110.882 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.61 -32.69 60.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.93 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.66 99.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 75.420000000000002 111.141 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -63.52 -44.3 94.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 73.219999999999999 110.843 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.35 -32.03 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.420000000000002 110.858 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.26 73.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 33.539999999999999 111.128 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.61 -32.59 74.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.530000000000001 111.092 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -73.76 -32.78 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 53.340000000000003 110.975 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.58 -31.77 63.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 33.100000000000001 110.9 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.949 HD11 HD12 ' A' ' 37' ' ' LEU . 6.2 tt -77.23 -26.2 52.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 65.450000000000003 110.896 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -77.06 -26.99 54.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.219999999999999 110.881 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.27 26.92 16.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 73.329999999999998 112.451 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.83 34.42 65.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 64.219999999999999 112.467 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 164.82 -41.06 0.3 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 53.210000000000001 112.545 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.97 128.54 6.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.803 -0.713 . . . . 75.209999999999994 112.505 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.76 116.14 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 60.539999999999999 112.491 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.81 130.47 0.18 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.776 -0.726 . . . . 61.439999999999998 112.473 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.88 -149.13 19.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 30.140000000000001 112.489 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.63 -55.66 0.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.683 -0.77 . . . . 54.399999999999999 112.45 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -60.9 -32.91 72.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 70.430000000000007 110.846 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.09 HD11 HD21 ' B' ' 59' ' ' LEU . 1.2 mm? -55.66 -30.7 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 110.892 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.0 mtt -76.16 -32.79 59.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 62.200000000000003 110.869 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.64 -31.2 61.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 71.340000000000003 110.874 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -57.92 -49.0 78.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 63.539999999999999 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -37.04 70.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 71.219999999999999 110.873 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.96 -30.63 71.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.219999999999999 110.926 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -53.67 -44.92 70.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 73.329999999999998 110.906 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.24 -48.85 79.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 75.010000000000005 111.078 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.48 -26.82 68.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 31.210000000000001 111.039 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -36.99 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.549999999999997 110.95 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -30.87 70.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.25 110.874 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.47 65.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 71.010000000000005 111.051 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -71.13 -33.26 69.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 63.530000000000001 110.868 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -81.64 -32.73 31.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 73.329999999999998 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -30.78 71.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 71.319999999999993 110.916 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -33.31 72.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 60.539999999999999 110.878 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -69.6 -41.92 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 110.982 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.73 -37.58 65.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.932 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.97 -28.31 64.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 72.129999999999995 111.093 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -45.39 87.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 74.319999999999993 110.867 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -77.16 -26.95 53.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 75.25 110.857 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -74.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 74.120000000000005 110.92 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.19 -28.77 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.925 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.51 86.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 52.100000000000001 110.954 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -68.99 -27.05 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 63.350000000000001 110.975 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 61.530000000000001 110.931 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.799 0.333 . . . . 73.299999999999997 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -90.79 149.04 22.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 62.119999999999997 110.887 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -86.62 -34.96 19.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 71.129999999999995 110.898 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.409 HD12 ' C ' ' B' ' 4' ' ' LEU . 4.4 pp -57.04 -29.0 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 71.129999999999995 110.917 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -52.88 63.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.914 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -72.34 -27.72 62.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 63.549999999999997 110.894 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -57.23 13.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 73.299999999999997 110.93 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.58 95.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 74.109999999999999 111.171 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.24 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 54.43 111.15 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -59.57 -40.03 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.530000000000001 110.948 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.87 -30.43 71.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.239999999999995 110.845 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -49.82 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.519999999999996 110.865 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -35.87 74.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 74.319999999999993 110.913 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.504 ' O ' HD23 ' B' ' 18' ' ' LEU . 0.8 OUTLIER -51.71 -52.66 46.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 64.530000000000001 110.895 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.19 -44.34 22.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 110.899 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -29.46 25.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 70.530000000000001 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -77.77 -35.69 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 62.530000000000001 110.867 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.504 HD23 ' O ' ' B' ' 14' ' ' GLU . 3.4 mm? -63.82 -33.16 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 74.040000000000006 111.012 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.33 -42.0 96.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 71.400000000000006 111.067 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.7 -30.13 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 62.130000000000003 110.872 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -74.83 -31.41 61.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 71.150000000000006 110.853 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.556 ' CB ' HD13 ' A' ' 11' ' ' LEU . . . -71.1 -30.85 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 44.32 111.124 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' B' ' 41' ' ' CYS . . . -70.1 -30.56 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 63.25 111.098 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -68.92 -32.6 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 72.430000000000007 110.909 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.46 -32.76 71.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 63.109999999999999 110.927 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.434 HD22 HD13 ' B' ' 37' ' ' LEU . 12.7 mt -73.71 -38.51 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 74.209999999999994 110.904 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.45 -26.81 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.530000000000001 110.881 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.41 73.94 0.35 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.718 -0.753 . . . . 71.040000000000006 112.49 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.25 -33.27 3.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 73.420000000000002 112.483 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.09 88.47 1.99 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 52.109999999999999 112.469 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.5 -93.19 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 54.130000000000003 112.447 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.12 -125.93 0.48 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.767 -0.73 . . . . 71.540000000000006 112.473 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.16 49.95 47.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 74.25 112.472 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.92 -77.14 0.4 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 41.530000000000001 112.503 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.71 -71.23 0.24 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.73 -0.748 . . . . 74.310000000000002 112.475 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.01 -32.87 74.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.914 0.388 . . . . 75.349999999999994 110.927 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.434 HD13 HD22 ' B' ' 26' ' ' LEU . 46.1 mt -54.48 -30.72 54.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 73.510000000000005 110.887 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 25.3 ttp -75.34 -28.98 59.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.84 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -37.37 59.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 74.329999999999998 110.976 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -42.88 89.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 53.32 110.912 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' B' ' 23' ' ' ALA . 0.6 OUTLIER -73.77 -40.71 63.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 62.240000000000002 110.88 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -66.0 -30.56 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 54.520000000000003 110.895 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.41 -40.89 62.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 72.439999999999998 110.923 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.0 -30.69 71.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 64.439999999999998 111.083 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.74 -30.8 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 63.149999999999999 111.118 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -56.15 -53.64 54.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 74.340000000000003 110.848 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.519 ' O ' HD13 ' B' ' 51' ' ' LEU . 9.1 mmpt? -55.81 -26.08 44.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 60.020000000000003 110.917 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.6 -26.58 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 43.229999999999997 111.091 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -74.33 -33.16 63.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.69 -29.48 33.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 72.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.519 HD13 ' O ' ' B' ' 47' ' ' LYS . 3.7 mp -67.1 -46.29 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 71.430000000000007 110.846 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -33.27 63.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.420000000000002 110.882 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -40.63 94.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 55.240000000000002 110.89 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.43 -46.3 23.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 110.958 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 -31.1 64.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.319999999999993 111.096 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -69.42 -48.93 59.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 54.140000000000001 110.975 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -64.66 -26.28 68.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 72.310000000000002 110.839 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.11 -37.53 23.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 73.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 1.09 HD21 HD11 ' A' ' 37' ' ' LEU . 58.6 mt -98.59 24.42 7.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 54.409999999999997 110.952 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -68.56 -74.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.230000000000004 110.938 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 171.38 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 61.219999999999999 110.91 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 64.310000000000002 110.967 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.794 0.331 . . . . 60.549999999999997 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.51 -163.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 62.119999999999997 110.928 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.66 36.06 22.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 75.310000000000002 110.878 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.53 -26.78 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 65.219999999999999 110.908 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 mmt-85 -60.53 -56.09 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 64.209999999999994 110.883 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.38 -37.81 87.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 72.200000000000003 110.844 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.83 -30.66 69.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 70.530000000000001 110.865 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.9 -45.61 64.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 54.539999999999999 111.094 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -55.28 -45.78 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 54.520000000000003 111.084 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -75.96 -31.95 59.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 64.329999999999998 110.932 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.99 HD21 ' HB1' ' B' ' 22' ' ' ALA . 25.9 tp -53.2 -32.86 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 75.129999999999995 110.916 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -57.5 -27.33 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 75.409999999999997 110.868 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -65.47 -31.39 72.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.140000000000001 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.04 -47.91 64.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 73.310000000000002 110.903 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -55.54 -44.35 76.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 71.209999999999994 110.85 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.689 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 2.2 tptp -52.05 -31.88 32.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 64.099999999999994 110.926 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -53.99 -49.55 68.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 75.540000000000006 110.934 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.087 HD11 HD13 ' B' ' 18' ' ' LEU . 37.4 mt -75.57 -32.88 60.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 75.549999999999997 110.964 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.21 -42.58 99.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 61.109999999999999 111.137 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -38.71 87.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 70.310000000000002 110.898 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.45 -31.06 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 65.420000000000002 110.838 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.461 ' HB2' ' HB3' ' B' ' 11' ' ' LEU . . . -68.71 -32.15 71.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 64.140000000000001 111.096 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.55 -32.42 60.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 34.210000000000001 111.16 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -73.8 -31.33 63.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 54.119999999999997 110.947 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.82 -32.31 61.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 72.099999999999994 110.89 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -76.18 -35.89 58.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 73.439999999999998 110.895 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.81 -26.2 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 51.409999999999997 110.87 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.77 67.38 2.15 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.696 -0.764 . . . . 42.420000000000002 112.468 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.3 -33.44 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 45.200000000000003 112.431 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.14 88.83 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 73.450000000000003 112.535 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.84 -170.82 32.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.789 -0.72 . . . . 61.25 112.518 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.08 -121.24 0.65 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 61.009999999999998 112.408 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.69 138.09 17.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.667 -0.778 . . . . 63.539999999999999 112.535 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.55 53.33 39.47 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.666 -0.778 . . . . 54.399999999999999 112.414 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.93 103.26 2.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 61.340000000000003 112.503 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -62.71 -32.85 74.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 70.129999999999995 110.908 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.72 -30.65 61.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 74.040000000000006 110.985 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.6 mtm -76.34 -32.85 58.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 71.109999999999999 110.908 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -75.97 -29.64 58.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 62.43 110.913 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.22 -53.44 57.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 73.400000000000006 110.909 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.7 m -66.43 -38.09 86.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 72.510000000000005 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -62.74 -33.82 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 72.420000000000002 110.877 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.36 -44.01 97.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.9 -37.77 86.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.340000000000003 111.105 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.689 ' HB1' ' HD2' ' A' ' 16' ' ' LYS . . . -75.87 -26.64 57.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 62.030000000000001 111.059 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.23 -31.01 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 70.230000000000004 110.874 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -28.3 68.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 51.219999999999999 110.877 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.96 -29.52 64.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 73.030000000000001 111.063 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.36 -33.23 63.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 73.219999999999999 110.853 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.5 -28.45 46.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 62.399999999999999 110.894 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -28.83 64.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 72.340000000000003 110.909 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.513 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -54.16 -33.36 57.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 74.230000000000004 110.923 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -62.44 -43.3 99.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 55.310000000000002 110.956 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.82 -46.89 20.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 71.450000000000003 110.936 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.86 -31.96 42.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 111.103 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -76.09 -33.75 59.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 72.109999999999999 110.847 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.77 -26.1 54.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 74.349999999999994 110.847 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -92.46 -35.41 13.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.239999999999995 110.87 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.494 HD21 HD11 ' B' ' 37' ' ' LEU . 68.7 mt -96.99 25.36 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 71.439999999999998 110.947 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.53 124.21 20.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 61.530000000000001 110.897 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.4 109.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 65.140000000000001 110.883 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 73.209999999999994 110.861 179.905 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.814 0.34 . . . . 74.510000000000005 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.33 19.27 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 71.409999999999997 110.975 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -82.28 -40.21 21.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.230000000000004 110.867 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.73 -26.27 61.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 74.120000000000005 110.885 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -64.07 -56.24 16.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.400000000000006 110.869 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.16 -31.17 67.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 65.120000000000005 110.843 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.59 -31.03 68.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.439999999999998 110.88 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -29.02 61.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 45.43 111.102 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.44 -28.72 21.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 51.030000000000001 111.144 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -58.82 -32.08 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 75.519999999999996 110.849 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -73.96 -32.86 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 73.120000000000005 110.907 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.93 -43.11 99.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 63.109999999999999 110.877 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.35 -31.32 62.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 70.109999999999999 110.888 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.17 -25.33 31.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.239999999999995 110.867 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -59.2 -41.21 88.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 61.240000000000002 110.885 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -19.74 60.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 65.109999999999999 110.921 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -49.01 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 61.439999999999998 110.929 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 1.087 HD13 HD11 ' A' ' 18' ' ' LEU . 3.0 mp -75.53 -32.91 60.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 64.129999999999995 110.938 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.16 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 73.219999999999999 111.133 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -68.85 -38.17 79.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.219999999999999 110.899 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.5 -30.94 63.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 64.400000000000006 110.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.99 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -76.28 -30.78 57.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 53.530000000000001 111.019 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.72 -30.01 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.120000000000005 111.095 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -31.87 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.219999999999999 110.933 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.34 -31.44 60.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 70.099999999999994 110.931 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' B' ' 37' ' ' LEU . 9.5 mt -79.93 -29.95 39.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.349999999999994 110.933 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.08 -26.27 20.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 73.299999999999997 110.913 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 52.31 66.57 2.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 54.119999999999997 112.476 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -167.21 26.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 65.409999999999997 112.529 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.03 -63.88 3.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.673 -0.775 . . . . 72.099999999999994 112.468 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.98 34.38 0.22 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.78 -0.724 . . . . 72.430000000000007 112.537 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.35 130.6 1.54 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.703 -0.76 . . . . 73.430000000000007 112.515 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.49 -157.53 15.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.813 -0.708 . . . . 64.299999999999997 112.54 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.95 93.02 0.17 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.718 -0.753 . . . . 64.319999999999993 112.403 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -152.09 148.89 20.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.822 -0.704 . . . . 71.040000000000006 112.576 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.451 ' CG ' HD23 ' B' ' 40' ' ' LEU . 29.4 tt0 -65.73 -28.45 69.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 71.010000000000005 110.859 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.622 ' HB3' HD22 ' B' ' 26' ' ' LEU . 4.4 mm? -59.91 -29.55 68.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 75.340000000000003 110.971 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 38.3 ttm -68.91 -44.53 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 54.340000000000003 110.862 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -77.05 -29.65 55.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 65.200000000000003 110.865 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.451 HD23 ' CG ' ' B' ' 36' ' ' GLU . 0.9 OUTLIER -71.01 -34.14 71.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 63.420000000000002 110.93 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 38.0 t -73.84 -45.1 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 74.209999999999994 110.886 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.19 -29.85 47.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.420000000000002 110.881 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -35.54 48.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.519999999999996 110.843 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -49.72 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 60.219999999999999 111.062 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.26 61.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 71.400000000000006 111.111 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.63 -51.94 67.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 74.099999999999994 110.851 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -51.92 -30.36 24.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 43.420000000000002 110.905 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.6 -36.33 70.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 75.409999999999997 111.074 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.25 -33.21 67.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.120000000000005 110.867 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -78.1 -32.17 50.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 64.099999999999994 110.888 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -28.47 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 63.420000000000002 110.943 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -33.26 48.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.319999999999993 110.88 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -51.21 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 54.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.9 -41.53 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 75.140000000000001 110.845 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.45 -29.14 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 71.150000000000006 111.094 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.49 -44.29 75.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 63.549999999999997 110.914 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.2 -25.46 66.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 72.319999999999993 110.897 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -88.27 -35.34 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 73.209999999999994 110.826 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.7 mp -95.85 24.37 5.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 63.420000000000002 110.912 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.17 -177.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 55.43 110.861 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -154.16 26.36 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 60.439999999999998 110.89 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 64.140000000000001 110.961 179.787 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.847 0.356 . . . . 75.120000000000005 110.866 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.12 148.61 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.230000000000004 110.919 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.63 -47.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 53.43 110.885 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 pp -98.93 -26.07 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 72.239999999999995 110.91 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -69.63 -54.97 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.420000000000002 110.86 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -54.45 -39.83 67.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.230000000000004 110.896 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -31.58 66.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 53.130000000000003 110.865 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.37 -49.46 76.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 55.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.01 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 52.109999999999999 111.121 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -34.93 72.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 75.010000000000005 110.876 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.561 HD11 HD13 ' B' ' 25' ' ' LEU . 1.0 OUTLIER -57.91 -30.85 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 75.010000000000005 110.941 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -60.19 -27.45 67.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 71.299999999999997 110.872 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.69 -32.2 62.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 70.129999999999995 110.881 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -54.76 -37.62 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 63.509999999999998 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -64.86 -52.12 58.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 74.099999999999994 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -33.32 75.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 62.25 110.897 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.55 63.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 71.109999999999999 110.894 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.68 -26.12 57.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 74.319999999999993 110.917 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.79 91.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 63.530000000000001 111.079 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.64 -47.16 86.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 75.129999999999995 110.868 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.89 -30.95 71.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 75.200000000000003 110.925 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.052 ' HB1' HD21 ' B' ' 11' ' ' LEU . . . -67.15 -32.05 72.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.430000000000007 111.104 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.46 -29.8 70.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 52.329999999999998 111.056 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.0 -40.52 71.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 63.399999999999999 110.909 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -35.49 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.230000000000004 110.91 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 37' ' ' LEU . 8.9 mt -68.14 -36.38 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 110.925 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.66 15.71 24.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.874 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.93 -68.7 1.53 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 73.230000000000004 112.475 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.28 19.57 53.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 41.049999999999997 112.458 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.77 100.43 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 74.430000000000007 112.447 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -160.51 74.75 0.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.771 -0.728 . . . . 70.239999999999995 112.518 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.07 37.96 0.69 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 71.239999999999995 112.495 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.41 -125.93 0.82 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.676 -0.773 . . . . 51.340000000000003 112.471 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.95 -35.51 61.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 12.140000000000001 112.477 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.36 34.38 87.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 63.520000000000003 112.456 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -61.35 -31.91 71.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 72.340000000000003 110.863 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.541 ' O ' HD13 ' A' ' 26' ' ' LEU . 4.5 mm? -56.94 -30.5 64.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 72.25 110.927 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.1 mtt -74.07 -31.58 62.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.510000000000005 110.921 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -76.97 -32.57 57.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 74.439999999999998 110.906 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -48.6 78.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 75.400000000000006 110.9 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.52 -46.69 68.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 62.329999999999998 110.89 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.64 -45.04 81.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.310000000000002 110.881 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.14 -48.88 78.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 65.310000000000002 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.52 -38.98 67.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 63.32 111.073 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.79 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 61.119999999999997 111.102 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -37.59 88.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 53.130000000000003 110.897 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -32.97 68.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.25 110.878 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.48 69.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 65.019999999999996 111.12 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -33.34 74.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 75.209999999999994 110.889 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -77.47 -31.72 53.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 74.040000000000006 110.884 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -35.81 68.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 45.130000000000003 110.863 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -33.26 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.879 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -40.52 96.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.872 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.6 mp -77.1 -47.87 19.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 65.420000000000002 110.888 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.59 -27.45 49.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 72.430000000000007 111.138 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -76.12 -34.44 59.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 75.219999999999999 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -77.53 -26.33 50.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 53.530000000000001 110.914 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -86.79 -37.18 18.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 70.140000000000001 110.854 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.0 mt -101.37 24.38 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.239999999999995 110.949 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.25 132.84 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.150000000000006 110.949 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -79.19 -51.56 9.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.530000000000001 110.914 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 64.109999999999999 110.927 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.4 mtt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.817 0.342 . . . . 72.109999999999999 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -160.73 160.89 31.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 75.129999999999995 110.892 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 55.65 26.17 8.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 54.0 110.883 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.01 -27.07 26.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 71.349999999999994 110.942 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -35.33 75.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.25 110.863 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.88 -32.37 73.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 61.109999999999999 110.899 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -35.23 64.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 73.340000000000003 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.02 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 74.129999999999995 111.069 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.04 93.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 41.310000000000002 111.133 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -33.73 67.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 75.150000000000006 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 1.052 HD21 ' HB1' ' A' ' 22' ' ' ALA . 5.3 tp -52.03 -37.93 55.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 70.200000000000003 110.837 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -38.23 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.030000000000001 110.919 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -37.21 86.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 74.140000000000001 110.883 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.422 ' O ' HD23 ' B' ' 18' ' ' LEU . 3.3 tt0 -51.6 -53.33 39.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 62.32 110.885 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -45.71 18.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 71.150000000000006 110.926 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -28.82 22.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 71.540000000000006 110.862 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -72.17 -43.62 64.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 71.299999999999997 110.878 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.422 HD23 ' O ' ' B' ' 14' ' ' GLU . 3.9 mm? -58.4 -40.82 83.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 62.399999999999999 110.882 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.33 95.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 52.020000000000003 111.121 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -70.53 -29.92 66.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 73.140000000000001 110.873 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.43 -34.18 65.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.329999999999998 110.899 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.518 ' HB2' HD22 ' A' ' 11' ' ' LEU . . . -68.15 -32.27 72.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.239999999999995 111.103 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.01 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 54.439999999999998 111.102 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -74.01 -32.06 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 53.119999999999997 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.561 HD13 HD11 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -75.47 -32.34 60.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 54.409999999999997 110.964 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.76 -34.7 62.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 72.329999999999998 110.903 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -25.63 24.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.400000000000006 110.844 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.19 -27.89 24.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 53.340000000000003 112.484 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.19 -28.73 27.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 64.129999999999995 112.516 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 155.31 51.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 61.240000000000002 112.502 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.2 -59.62 0.98 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 31.149999999999999 112.491 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.82 -114.23 6.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 52.149999999999999 112.462 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.57 -30.88 62.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 71.120000000000005 112.488 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -169.45 160.41 33.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 22.239999999999998 112.514 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.89 152.74 20.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 44.329999999999998 112.492 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -82.95 -33.31 26.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.929 0.395 . . . . 74.329999999999998 110.899 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mt -57.49 -29.64 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 75.25 110.884 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 34.9 ttm -76.46 -29.17 56.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.230000000000004 110.906 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -73.48 -33.52 64.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 61.299999999999997 110.925 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -39.76 78.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 110.926 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -31.98 61.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 40.119999999999997 110.919 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.39 -31.26 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 110.897 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.6 -46.48 67.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 72.099999999999994 110.909 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.31 76.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 72.340000000000003 111.049 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.34 -26.09 55.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 75.540000000000006 111.138 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -47.21 87.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 71.400000000000006 110.933 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -59.15 -33.16 70.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 55.32 110.919 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.09 -32.99 74.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 51.229999999999997 111.085 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -72.53 -33.29 66.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 73.019999999999996 110.859 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.92 -31.91 45.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.219999999999999 110.839 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.31 -31.04 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 75.299999999999997 110.904 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -33.36 68.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 110.894 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -40.61 89.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 74.519999999999996 110.883 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.634 HD12 ' NH1' ' B' ' 58' ' ' ARG . 4.0 mm? -71.46 -44.62 64.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 75.0 110.941 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.71 -27.66 29.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 54.420000000000002 111.135 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.36 -48.41 73.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 61.43 110.889 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.51 -29.28 52.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.219999999999999 110.878 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.634 ' NH1' HD12 ' B' ' 54' ' ' LEU . 11.5 mmp_? -65.62 -38.8 90.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 73.230000000000004 110.886 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 16.5 mt -111.01 23.57 13.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 74.439999999999998 110.932 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.58 -172.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 71.5 110.865 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.11 163.74 39.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 72.200000000000003 110.894 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 61.340000000000003 110.928 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.78 0.324 . . . . 60.109999999999999 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.412 ' HG2' HD23 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -57.45 -54.09 50.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 75.219999999999999 110.882 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -72.43 -28.47 62.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 44.310000000000002 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.417 ' OE1' HD23 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.66 -56.91 8.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 74.099999999999994 110.923 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.33 -47.05 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.16 -32.1 61.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 73.010000000000005 111.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -72.6 -39.97 66.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 75.340000000000003 110.933 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.417 HD23 ' OE1' ' A' ' 7' ' ' GLU . 1.7 mm? -60.54 -31.14 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 64.409999999999997 110.963 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.93 -33.39 74.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 75.329999999999998 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -70.93 -31.5 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 73.310000000000002 110.911 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -42.93 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 74.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -61.53 -47.34 86.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 71.430000000000007 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -27.26 67.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 51.210000000000001 110.941 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -50.65 73.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.868 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.59 -31.15 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 64.329999999999998 110.935 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.32 90.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 63.229999999999997 111.085 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.69 -43.36 89.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 71.230000000000004 110.894 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -31.65 71.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 62.109999999999999 110.817 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.99 -32.21 66.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 111.103 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.13 -31.19 61.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 71.299999999999997 111.079 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -73.5 -32.2 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 74.120000000000005 110.905 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -31.31 61.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 54.100000000000001 110.908 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -29.64 61.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 74.239999999999995 110.969 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -92.15 -26.98 17.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 75.409999999999997 110.832 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 63.399999999999999 112.554 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.882 0.372 . . . . 74.040000000000006 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 mt -54.66 -32.15 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 74.430000000000007 111.024 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.0 ttm -75.1 -29.9 60.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 62.149999999999999 110.895 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -74.85 -34.48 62.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 72.010000000000005 110.915 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -43.45 98.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.519999999999996 110.855 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -47.07 69.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 73.140000000000001 110.856 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.12 -31.45 67.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 75.319999999999993 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.85 -38.89 76.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 61.329999999999998 110.862 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.42 85.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.420000000000002 111.09 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.05 -28.91 67.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 53.030000000000001 111.068 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -65.22 -33.26 75.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 72.129999999999995 110.872 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -37.62 86.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 70.0 110.96 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.79 -28.93 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 54.140000000000001 111.151 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.81 -33.22 62.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 70.129999999999995 110.943 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -74.42 -31.71 62.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 60.240000000000002 110.851 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.51 -34.67 63.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 74.340000000000003 110.915 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.78 -33.31 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.349999999999994 110.9 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -45.39 93.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 74.319999999999993 110.874 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.03 -47.77 27.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 73.120000000000005 110.887 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.3 -25.1 58.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.510000000000005 111.092 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.19 -52.08 65.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 72.299999999999997 110.843 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.59 -26.77 60.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 71.049999999999997 110.903 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -67.34 -33.05 74.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 110.871 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.052 HD11 HD11 ' B' ' 37' ' ' LEU . 8.2 mp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 75.329999999999998 110.896 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.818 0.342 . . . . 74.040000000000006 110.908 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.5 -56.23 16.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 73.329999999999998 110.848 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.83 -34.29 77.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 72.25 110.885 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -62.57 -34.22 76.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 74.129999999999995 110.85 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -54.35 42.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 62.399999999999999 111.049 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.747 ' HB1' ' CZ ' ' B' ' 52' ' ' PHE . . . -52.99 -33.56 52.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 53.009999999999998 111.111 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -31.95 59.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 61.43 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -31.35 72.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 74.510000000000005 110.918 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -55.6 -27.53 49.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 64.040000000000006 110.922 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.78 -32.45 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 73.150000000000006 110.887 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -51.99 -49.77 62.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 73.420000000000002 110.86 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -58.11 -54.08 51.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.892 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.17 -36.06 60.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 73.349999999999994 110.867 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -46.82 80.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 60.210000000000001 110.896 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.2 -26.88 60.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 73.209999999999994 110.918 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.81 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 73.219999999999999 111.126 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -64.78 -40.73 95.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.049999999999997 110.866 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.26 -32.52 73.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 63.32 110.884 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.78 -32.16 71.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 62.32 111.182 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -32.14 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.519999999999996 111.144 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -73.79 -32.49 63.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 72.310000000000002 110.865 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -31.98 60.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 72.450000000000003 110.958 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.785 HD11 HD12 ' B' ' 37' ' ' LEU . 0.8 OUTLIER -78.38 -30.99 48.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 73.140000000000001 110.913 179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -85.67 -26.72 25.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 64.030000000000001 110.89 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 53.43 112.438 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.426 -0.269 . . . . 72.150000000000006 112.426 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -83.15 -27.85 29.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.948 0.404 . . . . 73.109999999999999 110.878 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 1.052 HD11 HD11 ' A' ' 59' ' ' LEU . 2.8 mm? -51.9 -36.01 47.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.450000000000003 110.871 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.5 ptm -75.88 -30.68 58.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 71.519999999999996 110.862 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -77.12 -29.57 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 72.25 110.878 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 tt -73.32 -37.01 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 61.32 110.924 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 51.9 t -69.49 -30.14 67.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 45.039999999999999 110.831 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.28 -35.21 63.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 70.0 110.929 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.88 -45.32 71.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 72.109999999999999 110.846 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.04 -48.12 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 54.450000000000003 111.116 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.18 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 75.409999999999997 111.077 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -36.95 83.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -41.02 96.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 72.25 110.823 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.2 86.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 63.210000000000001 111.143 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.65 -33.28 73.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 71.450000000000003 110.886 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -74.38 -26.87 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.150000000000006 110.886 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -30.41 66.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 72.319999999999993 110.954 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.747 ' CZ ' ' HB1' ' B' ' 9' ' ' ALA . 0.2 OUTLIER -52.91 -33.22 49.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 74.310000000000002 110.88 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -43.0 82.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 73.409999999999997 110.843 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.02 -37.24 67.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 73.299999999999997 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.5 -28.71 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 52.219999999999999 111.103 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -41.75 89.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 110.876 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.88 -26.45 54.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.894 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -74.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 75.549999999999997 110.823 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 56.7 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 72.319999999999993 110.984 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.845 0.355 . . . . 72.400000000000006 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -35.28 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 71.420000000000002 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -32.31 73.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.219999999999999 110.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.464 ' OE2' HD22 ' B' ' 25' ' ' LEU . 21.2 mt-10 -65.16 -33.33 75.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.129999999999995 110.847 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.92 -53.06 45.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 62.299999999999997 111.1 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.86 -31.09 62.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 65.310000000000002 111.1 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.73 -41.75 52.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 72.129999999999995 110.923 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' B' ' 22' ' ' ALA . 1.8 mt -67.53 -31.09 70.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 75.109999999999999 110.874 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -58.45 -34.71 71.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 63.530000000000001 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -34.95 73.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 55.450000000000003 110.898 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.57 -48.08 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 73.549999999999997 110.907 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -55.57 -48.51 74.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.219999999999999 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -28.27 68.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 71.239999999999995 110.898 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -61.68 -46.48 89.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.019999999999996 110.849 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.584 HD13 ' HB3' ' B' ' 14' ' ' GLU . 68.8 mt -74.62 -31.03 61.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.443 . . . . 71.439999999999998 110.916 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.03 -41.62 99.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 71.109999999999999 111.131 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.77 -40.97 96.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 71.099999999999994 110.897 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -31.28 70.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.209999999999994 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.31 -32.25 71.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 73.099999999999994 111.09 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.5 71.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 65.010000000000005 111.056 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -66.6 -37.06 84.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 74.120000000000005 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -34.53 77.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 72.120000000000005 110.879 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.982 HD22 HD22 ' A' ' 37' ' ' LEU . 3.1 mt -67.4 -41.52 84.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 75.140000000000001 110.901 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -98.63 18.3 17.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 61.43 110.867 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 33.549999999999997 112.522 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.888 0.375 . . . . 75.319999999999993 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.982 HD22 HD22 ' A' ' 26' ' ' LEU . 7.9 mt -55.29 -30.3 59.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 64.319999999999993 110.916 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.5 ttp -76.39 -32.93 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 73.510000000000005 110.895 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -75.4 -33.94 61.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 75.140000000000001 110.945 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -49.27 75.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 73.310000000000002 110.916 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.8 m -70.61 -46.46 63.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.049999999999997 110.871 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.36 -31.04 63.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.230000000000004 110.889 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.57 -44.3 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 110.854 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.37 97.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.219999999999999 111.128 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.11 -25.23 63.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 72.540000000000006 111.185 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -65.75 -40.46 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.510000000000005 110.919 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -26.81 68.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 73.400000000000006 110.952 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.85 -38.34 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 34.219999999999999 111.134 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.53 -33.28 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 75.310000000000002 110.91 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.74 -32.58 63.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 74.510000000000005 110.89 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.38 -29.3 62.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 64.329999999999998 110.95 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.87 -33.23 66.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.140000000000001 110.902 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -47.12 87.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 42.420000000000002 110.902 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -33.63 52.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 61.329999999999998 110.907 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.09 -29.97 70.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 54.119999999999997 111.042 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -47.34 71.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.109999999999999 110.89 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -27.05 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 62.299999999999997 110.851 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -81.63 -74.78 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 72.5 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 72.549999999999997 110.903 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.788 0.328 . . . . 74.109999999999999 110.906 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -49.97 73.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 110.877 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 73.340000000000003 110.854 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -60.16 -40.94 91.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.140000000000001 110.851 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -54.08 45.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.010000000000005 111.095 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.04 -30.7 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 64.340000000000003 111.095 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 -40.0 63.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 75.430000000000007 110.831 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -31.74 71.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 72.420000000000002 110.92 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -55.28 -37.5 67.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 71.340000000000003 110.89 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -31.34 71.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 71.510000000000005 110.855 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.584 ' HB3' HD13 ' A' ' 18' ' ' LEU . 5.0 mm-40 -52.05 -39.75 60.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 63.509999999999998 110.891 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -58.51 -47.46 84.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 73.329999999999998 110.896 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -64.03 -28.53 69.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 71.530000000000001 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -49.6 76.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.209999999999994 110.851 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.93 -32.12 61.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 75.430000000000007 110.912 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.32 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 54.020000000000003 111.098 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.41 -38.27 89.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.239999999999995 110.874 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.19 -34.28 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 72.120000000000005 110.947 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.409 ' HB2' HD22 ' A' ' 11' ' ' LEU . . . -68.1 -30.86 70.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 34.340000000000003 111.093 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.08 -31.39 64.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 63.240000000000002 111.045 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.51 -32.09 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 71.439999999999998 110.86 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.464 HD22 ' OE2' ' A' ' 7' ' ' GLU . 1.8 mt -72.98 -31.72 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 64.329999999999998 110.927 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.491 HD13 ' HB3' ' B' ' 37' ' ' LEU . 40.2 mt -78.18 -26.31 47.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 73.140000000000001 110.922 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -79.1 -31.18 44.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 62.240000000000002 110.874 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 64.420000000000002 112.45 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.494 -0.243 . . . . 74.430000000000007 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -76.83 -32.66 57.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 74.319999999999993 110.863 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.491 ' HB3' HD13 ' B' ' 26' ' ' LEU . 4.1 mm? -54.67 -31.86 58.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 74.439999999999998 110.928 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -30.69 57.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 74.310000000000002 110.864 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -76.12 -34.0 59.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 70.239999999999995 110.843 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.47 -42.71 96.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 75.239999999999995 110.876 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 2.6 m -69.92 -49.58 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 65.120000000000005 110.916 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.92 -30.77 69.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 71.5 110.94 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -49.1 64.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 74.120000000000005 110.872 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.5 76.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 61.539999999999999 111.092 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.37 -30.83 68.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 35.140000000000001 111.081 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -34.19 77.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 74.310000000000002 110.874 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -38.66 88.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 72.150000000000006 110.889 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.2 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 71.140000000000001 111.136 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.28 -33.29 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 75.430000000000007 110.935 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -80.85 -32.23 35.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 71.200000000000003 110.857 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -33.21 67.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -33.36 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 65.150000000000006 110.822 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -63.42 -38.86 92.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 44.200000000000003 110.911 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 mp -77.61 -49.49 14.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 110.96 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.82 -31.14 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 64.420000000000002 111.036 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.95 -35.52 59.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 72.310000000000002 110.914 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.72 -26.28 60.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 110.908 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -91.37 -34.55 14.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 110.898 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.938 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.777 0.322 . . . . 75.120000000000005 110.93 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -57.15 11.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 72.120000000000005 110.908 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -39.77 79.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 62.439999999999998 110.891 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.23 -41.55 99.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 73.209999999999994 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.571 ' HA ' HD23 ' A' ' 11' ' ' LEU . . . -69.25 -52.22 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 53.25 111.104 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.65 -34.42 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -33.74 58.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 72.310000000000002 110.926 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -54.88 -29.03 54.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 71.129999999999995 110.91 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.4 -28.21 52.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 70.299999999999997 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 74.299999999999997 110.905 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -52.02 -51.71 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 72.239999999999995 110.921 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -55.42 -54.44 43.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 75.329999999999998 110.936 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -56.33 -31.72 63.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 71.109999999999999 110.916 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -54.43 -50.47 67.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.917 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -31.05 59.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 51.140000000000001 110.886 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.71 98.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 43.439999999999998 111.095 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.32 -38.47 84.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 75.400000000000006 110.84 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.25 -31.14 68.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 73.299999999999997 110.895 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -32.47 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 111.139 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.6 -30.89 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.510000000000005 111.115 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -64.4 -32.35 73.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 61.240000000000002 110.893 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -75.07 -30.95 61.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 75.450000000000003 110.891 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' A' ' 37' ' ' LEU . 11.2 mt -77.3 -25.53 51.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 74.109999999999999 110.912 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -96.24 -25.6 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.109999999999999 110.906 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 73.129999999999995 112.484 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.774 0.321 . . . . 75.120000000000005 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.656 ' HB3' HD22 ' A' ' 26' ' ' LEU . 20.9 mt -51.9 -30.05 22.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 64.129999999999995 110.927 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.0 ptp -53.75 -32.03 50.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 75.219999999999999 110.833 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -77.02 -33.27 57.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 70.239999999999995 110.895 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -44.27 79.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 65.430000000000007 110.851 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -46.07 33.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 51.439999999999998 110.862 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.04 -44.42 78.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 74.319999999999993 110.968 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -48.03 64.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 73.299999999999997 110.885 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.13 71.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 61.340000000000003 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.26 -25.71 55.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 75.150000000000006 111.069 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -63.33 -49.95 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 70.030000000000001 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -42.1 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 63.409999999999997 110.826 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.05 73.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 45.310000000000002 111.019 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.55 -33.27 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.099999999999994 110.938 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -73.98 -29.83 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 75.450000000000003 110.854 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' B' ' 44' ' ' ALA . 15.0 tp -69.62 -29.07 66.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 45.140000000000001 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -33.3 67.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 74.030000000000001 110.926 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -59.93 -38.14 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 73.219999999999999 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -48.49 49.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.916 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.38 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 53.32 111.107 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -69.89 -40.18 75.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 55.140000000000001 110.852 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.59 -28.43 56.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 61.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -74.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 62.229999999999997 110.841 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 65.030000000000001 110.9 -179.91 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.783 0.325 . . . . 71.209999999999994 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -70.5 -43.29 70.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.120000000000005 110.905 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.1 -44.35 91.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 74.409999999999997 110.903 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -77.72 -33.81 52.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 74.120000000000005 110.965 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.71 -49.81 61.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 51.109999999999999 111.082 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.3 -30.72 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 73.120000000000005 111.105 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -74.43 -33.44 62.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 62.439999999999998 110.899 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.33 -31.14 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 73.239999999999995 110.902 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -57.94 -29.95 65.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 72.319999999999993 110.799 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.52 -31.31 69.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 75.219999999999999 110.968 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -52.25 -44.97 65.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 75.540000000000006 110.912 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -56.83 -49.22 76.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.898 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -26.26 65.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 74.310000000000002 110.915 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.63 -46.05 90.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 55.009999999999998 110.918 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -75.07 -32.44 61.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 72.129999999999995 110.903 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.87 95.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 71.219999999999999 111.095 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -42.87 91.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 65.219999999999999 110.878 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.28 -31.1 71.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 65.409999999999997 110.872 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.98 69.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 40.530000000000001 111.041 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.91 -32.08 43.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 55.420000000000002 111.106 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -73.7 -32.71 64.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 72.239999999999995 110.808 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.26 -32.28 62.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.283 -0.417 . . . . 74.420000000000002 110.895 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.726 HD21 ' CB ' ' B' ' 37' ' ' LEU . 9.3 tt -76.94 -26.14 53.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 73.230000000000004 110.969 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.29 -26.31 52.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 64.209999999999994 110.908 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 45.119999999999997 112.422 -179.874 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.471 -0.252 . . . . 75.150000000000006 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -64.73 -32.29 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 72.5 110.905 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.726 ' CB ' HD21 ' B' ' 26' ' ' LEU . 6.2 mt -53.9 -30.55 46.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 65.310000000000002 110.909 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 26.9 mtm -75.15 -31.97 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 72.109999999999999 110.868 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -76.78 -29.79 56.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 72.420000000000002 110.854 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.99 -49.72 74.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 62.409999999999997 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.14 -41.17 82.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 55.299999999999997 110.903 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -62.86 -33.65 75.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 52.32 110.877 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.26 -41.78 76.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 73.140000000000001 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.407 ' HB2' HD22 ' A' ' 51' ' ' LEU . . . -68.52 -34.92 76.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 52.310000000000002 111.099 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.52 -25.85 62.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 32.240000000000002 111.106 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -32.07 73.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 63.420000000000002 110.911 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -36.58 79.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 71.329999999999998 110.955 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.99 -43.94 94.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.049999999999997 111.107 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -33.23 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 110.855 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -82.03 -32.05 30.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 74.319999999999993 110.873 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 -29.37 63.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 73.150000000000006 110.925 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -33.44 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 65.420000000000002 110.963 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -41.5 89.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 73.340000000000003 110.883 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.82 -43.7 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 63.350000000000001 110.879 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.4 -32.1 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 71.409999999999997 111.11 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.04 -33.79 59.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 64.120000000000005 110.862 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.79 -26.29 54.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 74.340000000000003 110.88 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 -91.34 -34.71 14.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.040000000000006 110.84 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 54.140000000000001 110.921 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 4' ' ' LEU . 3.2 pp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.791 0.329 . . . . 74.530000000000001 110.909 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.688 ' CG ' HD12 ' A' ' 59' ' ' LEU . 2.0 tmt_? -71.6 -51.87 21.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 72.439999999999998 110.914 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.87 -40.67 89.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 52.310000000000002 110.921 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.7 -55.11 39.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 63.32 110.91 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.419 ' HB1' ' HG ' ' B' ' 26' ' ' LEU . . . -63.67 -40.43 96.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 75.430000000000007 111.045 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -30.82 71.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.420000000000002 111.095 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -32.37 60.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 61.340000000000003 110.879 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.637 HD12 ' HB2' ' B' ' 22' ' ' ALA . 0.3 OUTLIER -52.71 -30.75 34.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 63.020000000000003 110.874 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.62 -30.34 65.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 71.209999999999994 110.846 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.62 -34.91 76.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.209999999999994 110.838 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.42 -50.05 63.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.040000000000006 110.877 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.0 m0 -52.48 -46.33 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.530000000000001 110.922 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HD3' ' HB3' ' A' ' 48' ' ' ALA . 0.7 OUTLIER -63.55 -33.4 75.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 73.019999999999996 110.831 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -46.28 78.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 52.539999999999999 110.966 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.3 mt -75.48 -31.65 60.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 110.889 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.438 ' HB1' ' HB2' ' A' ' 45' ' ' ALA . . . -61.8 -43.91 97.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 73.030000000000001 111.074 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.57 -34.13 75.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -31.0 64.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.019999999999996 110.915 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.96 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 72.329999999999998 111.1 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.4 -31.93 58.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 72.329999999999998 111.119 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.61 -32.58 64.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.319999999999993 110.91 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -32.44 68.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 72.510000000000005 110.907 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 tp -78.94 -27.58 43.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 64.109999999999999 110.916 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -79.92 -26.2 40.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 75.400000000000006 110.926 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 54.329999999999998 112.519 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.918 0.39 . . . . 72.030000000000001 110.838 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.1 mt -51.97 -29.52 20.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 53.049999999999997 110.913 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.61 -35.96 60.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.530000000000001 110.952 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -71.36 -32.97 69.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 61.020000000000003 110.959 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.683 HD21 ' HD3' ' B' ' 58' ' ' ARG . 1.5 mt -56.63 -51.19 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 110.944 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.1 m -75.44 -31.53 60.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 53.200000000000003 110.892 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.94 -30.97 71.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 73.310000000000002 110.795 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.61 -48.32 75.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 72.409999999999997 110.879 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.71 -40.8 84.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 75.409999999999997 111.125 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.438 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . . . -71.53 -26.67 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 54.420000000000002 111.132 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -38.8 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 54.210000000000001 110.858 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -59.97 -42.12 93.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 71.209999999999994 110.873 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.49 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . . . -58.77 -33.91 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 71.140000000000001 111.069 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.76 -33.32 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 62.210000000000001 110.858 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -80.05 -31.56 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 74.099999999999994 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -29.82 64.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 73.439999999999998 110.833 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -33.38 66.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.421 . . . . 63.109999999999999 110.893 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -62.45 -49.28 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.019999999999996 110.921 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -43.34 80.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 75.450000000000003 110.899 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.99 -25.09 42.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 72.099999999999994 111.112 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -60.14 -44.52 94.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 110.919 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -77.12 -26.23 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 75.120000000000005 110.841 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -69.15 -33.95 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 65.310000000000002 110.889 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.688 HD12 ' CG ' ' A' ' 5' ' ' ARG . 4.4 mm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.430000000000007 110.9 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.815 0.34 . . . . 52.130000000000003 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -53.3 -29.7 34.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 72.140000000000001 110.863 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.43 -40.94 85.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 71.019999999999996 110.908 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -44.36 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 71.340000000000003 110.872 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.39 83.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 70.129999999999995 111.083 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.76 -36.18 71.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 55.43 111.104 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -71.96 -32.81 67.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.510000000000005 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -31.56 53.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 65.109999999999999 110.83 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -57.26 -34.32 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 110.925 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.14 -32.02 66.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 75.319999999999993 110.917 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -40.18 63.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.495 . . . . 65.530000000000001 110.909 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -57.32 -50.46 72.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 74.340000000000003 110.919 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -26.38 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 71.120000000000005 110.941 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -49.83 76.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 65.540000000000006 110.871 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -30.15 60.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 71.310000000000002 110.925 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.1 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 74.530000000000001 111.055 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.21 -39.1 86.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 72.019999999999996 110.9 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -71.88 -31.0 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 64.030000000000001 110.902 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 11' ' ' LEU . . . -74.62 -31.59 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 24.440000000000001 111.067 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.26 -32.52 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 72.340000000000003 111.141 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -68.69 -36.58 78.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 70.209999999999994 110.954 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.36 -34.72 77.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 65.319999999999993 110.857 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.419 ' HG ' ' HB1' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -67.46 -42.85 82.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 70.430000000000007 110.964 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.6 18.42 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 71.409999999999997 110.878 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 65.239999999999995 112.468 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.469 -0.252 . . . . 70.319999999999993 112.469 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -78.14 -30.85 49.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 74.0 110.928 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mp -52.02 -29.45 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.219999999999999 110.926 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 12.9 mtt -75.2 -35.99 61.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 72.219999999999999 110.95 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.59 -33.24 70.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 72.109999999999999 110.894 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.71 -35.03 74.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.319999999999993 110.91 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -74.34 -44.3 53.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 63.450000000000003 110.881 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -65.21 -29.85 70.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 110.83 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.8 -49.61 75.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 75.200000000000003 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -40.26 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 64.109999999999999 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.56 -28.19 62.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 61.109999999999999 111.076 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -36.24 83.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 63.229999999999997 110.93 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -59.33 -35.05 73.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 73.239999999999995 110.941 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -32.51 73.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 75.140000000000001 111.131 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -71.85 -33.41 68.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 62.219999999999999 110.84 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -80.13 -30.98 39.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 72.430000000000007 110.883 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 mt -74.25 -31.48 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 74.010000000000005 110.933 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -33.28 74.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 75.430000000000007 110.879 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -63.67 -41.97 98.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.049999999999997 110.884 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.22 -45.63 25.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 71.010000000000005 110.885 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.15 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 74.230000000000004 111.077 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -56.12 -50.98 69.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 64.319999999999993 110.908 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -77.55 -26.41 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 60.450000000000003 110.898 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.683 ' HD3' HD21 ' A' ' 40' ' ' LEU . 11.0 mmp_? -66.2 -36.78 83.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 72.319999999999993 110.924 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.475 HD12 ' C ' ' B' ' 58' ' ' ARG . 9.3 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 61.030000000000001 110.889 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.811 0.338 . . . . 75.420000000000002 110.949 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -51.86 -32.35 31.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 74.109999999999999 110.917 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -54.74 -49.82 69.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 73.340000000000003 110.905 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -71.85 -36.16 70.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 71.019999999999996 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -34.71 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 54.229999999999997 111.188 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.27 -32.51 70.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 65.430000000000007 111.126 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -73.16 -32.66 65.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.627 HD13 ' HB1' ' B' ' 22' ' ' ALA . 14.2 mt -53.63 -32.59 51.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 72.239999999999995 110.903 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.92 -29.5 69.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 65.219999999999999 110.84 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -33.22 67.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 75.129999999999995 110.923 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -53.64 -46.16 70.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 55.409999999999997 110.912 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.06 -50.43 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 74.349999999999994 110.938 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -58.74 -32.83 69.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 64.430000000000007 110.929 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -51.27 66.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.549999999999997 110.911 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.23 -28.97 62.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 73.230000000000004 110.821 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.41 89.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 62.210000000000001 111.062 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.53 -45.87 85.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 71.099999999999994 110.892 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -66.35 -31.07 71.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 64.219999999999999 110.872 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.509 ' HB2' HD22 ' B' ' 11' ' ' LEU . . . -70.96 -31.18 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 62.539999999999999 111.107 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.19 -32.42 71.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 72.519999999999996 111.111 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -65.87 -40.7 91.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 73.349999999999994 110.947 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -35.9 82.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 75.530000000000001 110.941 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.58 -37.9 83.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 53.25 110.948 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -98.59 16.51 21.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 63.020000000000003 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 43.140000000000001 112.49 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.936 0.398 . . . . 71.219999999999999 110.973 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.16 -31.57 52.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 74.010000000000005 110.951 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.2 mtt -69.8 -32.71 71.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 74.239999999999995 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -42.58 54.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 72.099999999999994 110.897 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.63 -30.48 67.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 65.409999999999997 110.915 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.51 -49.07 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.319999999999993 110.846 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 70.299999999999997 110.848 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.74 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 55.420000000000002 110.863 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.95 -49.49 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 53.520000000000003 111.126 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.47 66.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 64.099999999999994 111.129 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -62.49 -41.96 99.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 72.5 110.914 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -57.06 -29.52 63.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 72.299999999999997 110.849 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.87 -41.6 82.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 64.409999999999997 111.119 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -33.37 70.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 74.329999999999998 110.953 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.3 -31.91 69.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 74.299999999999997 110.932 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mt -72.01 -29.01 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.957 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -33.37 57.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 73.319999999999993 110.853 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -59.65 -51.26 70.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 73.209999999999994 110.904 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -40.06 69.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 62.130000000000003 110.864 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.94 -30.72 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.109999999999999 111.076 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.92 -48.92 74.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 44.350000000000001 110.889 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.38 -28.45 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 73.420000000000002 110.909 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -75.77 -74.78 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 74.030000000000001 110.915 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.5 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 61.210000000000001 110.916 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.797 0.332 . . . . 74.420000000000002 110.943 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.465 ' HB3' HD23 ' B' ' 59' ' ' LEU . 2.6 mpt_? -66.86 -40.69 87.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 61.25 110.876 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -69.65 -30.96 68.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 110.885 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.38 -52.81 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 75.349999999999994 110.899 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.466 ' HA ' HD12 ' B' ' 11' ' ' LEU . . . -53.2 -47.64 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 52.240000000000002 111.066 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.74 60.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 51.439999999999998 111.052 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.9 -37.71 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 72.219999999999999 110.932 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' A' ' 22' ' ' ALA . 8.6 mt -56.8 -32.67 65.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 64.019999999999996 110.85 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -61.89 -37.14 83.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 65.519999999999996 110.855 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.63 -32.55 74.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 50.530000000000001 110.957 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -53.57 -44.59 69.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 75.5 110.844 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -56.61 -46.56 80.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 74.430000000000007 110.873 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -60.77 -29.02 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 74.150000000000006 110.9 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -60.11 -51.01 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 71.140000000000001 110.825 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 74.1 mt -69.78 -31.64 69.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.272 -0.422 . . . . 73.230000000000004 110.929 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . . . -59.61 -44.7 93.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 72.329999999999998 111.071 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.71 -43.27 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 65.439999999999998 110.879 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 52.329999999999998 110.841 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.627 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -69.36 -31.61 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.319999999999993 111.062 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.1 -30.41 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 70.349999999999994 111.067 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -71.35 -31.76 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 65.310000000000002 110.921 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -31.87 64.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.966 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.663 HD12 ' HB3' ' B' ' 37' ' ' LEU . 4.1 mm? -78.54 -27.76 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 110.932 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.73 -27.68 44.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 71.219999999999999 110.832 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 61.32 112.465 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.478 -0.249 . . . . 33.340000000000003 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.57 -28.32 62.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.903 0.382 . . . . 75.120000000000005 110.952 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.663 ' HB3' HD12 ' B' ' 26' ' ' LEU . 4.5 mm? -60.06 -29.39 68.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 71.209999999999994 110.907 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 30.3 mtt -68.97 -44.59 72.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.519999999999996 110.838 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.01 -29.59 55.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.109999999999999 110.91 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.17 -47.53 78.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 70.129999999999995 110.895 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -39.15 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 62.450000000000003 110.864 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.18 -30.3 71.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 70.409999999999997 110.856 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -37.74 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.129999999999995 110.857 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.42 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 73.439999999999998 111.138 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.425 ' HB2' ' CB ' ' B' ' 19' ' ' ALA . . . -69.0 -26.98 65.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 43.539999999999999 111.085 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -60.64 -39.92 90.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 71.549999999999997 110.844 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -33.36 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 70.450000000000003 110.865 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 75.129999999999995 111.055 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.44 -33.3 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 75.540000000000006 110.87 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -71.21 -29.69 65.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 72.030000000000001 110.917 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.59 -28.6 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 70.329999999999998 110.912 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -33.33 64.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 74.109999999999999 110.874 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -46.82 88.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 70.120000000000005 110.921 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -38.91 48.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 71.109999999999999 110.841 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.84 -27.32 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 54.340000000000003 111.141 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -63.52 -44.21 94.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 73.120000000000005 110.852 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.43 -27.03 52.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 110.872 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 43.5 mmt-85 -69.34 -33.04 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 72.319999999999993 110.867 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' B' ' 5' ' ' ARG . 8.1 mp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 61.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.828 0.347 . . . . 63.240000000000002 110.988 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.465 ' O ' HD12 ' A' ' 59' ' ' LEU . 3.0 mtp85 -52.3 -39.86 61.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 110.905 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -68.58 -35.28 77.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.450000000000003 110.903 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -33.87 63.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 73.409999999999997 110.91 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.555 ' HB1' HD11 ' B' ' 26' ' ' LEU . . . -51.93 -43.84 63.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 70.420000000000002 111.127 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.62 -34.87 76.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 71.109999999999999 111.055 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -32.15 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 72.030000000000001 110.899 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.612 HD12 ' HB2' ' B' ' 22' ' ' ALA . 0.2 OUTLIER -54.12 -30.57 49.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 64.310000000000002 110.885 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.4 -28.65 55.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 110.91 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -33.14 68.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 73.120000000000005 110.891 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.24 -45.42 65.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 72.409999999999997 110.884 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -59.19 -50.53 73.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 74.230000000000004 110.858 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -52.44 -29.59 25.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 74.340000000000003 110.878 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -55.09 -51.43 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 64.450000000000003 110.883 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.2 mt -74.51 -32.59 62.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 73.329999999999998 110.896 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.96 99.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 61.210000000000001 111.104 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.3 -37.22 83.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 72.349999999999994 110.87 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -32.34 70.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 74.430000000000007 110.882 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.698 ' HA ' HD13 ' B' ' 11' ' ' LEU . . . -68.78 -30.87 69.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 74.329999999999998 111.112 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.98 -32.46 57.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 111.128 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -33.25 68.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 75.109999999999999 110.848 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -30.93 60.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 61.520000000000003 110.892 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp -79.31 -26.54 42.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 72.319999999999993 110.846 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -94.11 -25.98 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 61.340000000000003 110.912 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 74.230000000000004 112.471 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.92 0.391 . . . . 72.319999999999993 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mp -55.34 -33.79 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 74.510000000000005 110.917 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.4 ptm -76.5 -28.44 56.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 75.530000000000001 110.876 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -32.77 57.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 62.329999999999998 110.857 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -35.46 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 61.530000000000001 110.917 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -42.38 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 71.519999999999996 110.883 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.58 -30.03 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 110.88 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.09 -46.17 85.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 72.510000000000005 110.833 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.96 96.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 62.329999999999998 111.121 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -28.39 66.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 45.130000000000003 111.074 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -63.3 -29.33 70.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.904 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -61.61 -32.68 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 71.319999999999993 110.896 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.14 67.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 63.350000000000001 111.108 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.93 -33.4 68.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.89 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -79.18 -28.92 42.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 75.420000000000002 110.937 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.6 mt -73.82 -28.56 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 71.310000000000002 110.925 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -33.34 70.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 75.319999999999993 110.912 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -48.3 81.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 64.310000000000002 110.91 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.78 -25.77 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.439999999999998 110.916 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.66 67.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 73.120000000000005 111.082 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.11 -31.42 58.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 65.120000000000005 110.866 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.8 -22.54 49.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 72.030000000000001 110.921 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.568 ' HB3' HD23 ' A' ' 59' ' ' LEU . 28.1 mtt-85 -71.26 -76.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 75.510000000000005 110.864 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' A' ' 58' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 64.510000000000005 110.973 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.845 0.355 . . . . 71.140000000000001 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -51.84 61.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 75.319999999999993 110.893 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.02 -31.63 71.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 74.319999999999993 110.901 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -45.41 68.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 54.100000000000001 110.834 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.7 -52.15 64.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 61.350000000000001 111.11 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.93 -29.24 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 44.329999999999998 111.075 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.63 -33.02 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 63.530000000000001 110.986 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.698 HD13 ' HA ' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -62.25 -31.14 71.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 63.119999999999997 110.847 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -55.92 -39.31 71.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 75.219999999999999 110.868 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -73.16 -35.62 66.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 54.539999999999999 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -25.29 33.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 54.219999999999999 110.847 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -59.64 -41.49 90.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 74.510000000000005 110.98 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -67.14 -21.56 65.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 74.140000000000001 110.951 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -50.67 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 71.140000000000001 110.904 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.5 -32.84 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.409999999999997 110.897 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.21 -44.49 95.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 50.109999999999999 111.092 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -68.72 -31.86 71.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 72.310000000000002 110.837 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.65 -31.84 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 64.340000000000003 110.875 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.612 ' HB2' HD12 ' A' ' 11' ' ' LEU . . . -70.72 -30.94 67.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 75.030000000000001 111.102 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.17 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 72.329999999999998 111.106 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -64.45 -33.58 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 64.030000000000001 110.905 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.5 -30.87 61.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 110.896 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.734 HD23 ' HB3' ' B' ' 37' ' ' LEU . 7.5 mp -75.95 -25.68 56.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.430000000000007 110.895 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -96.55 -25.92 15.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 74.430000000000007 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 53.100000000000001 112.475 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.475 -0.25 . . . . 14.130000000000001 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -70.42 -28.34 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 75.140000000000001 110.845 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.734 ' HB3' HD23 ' B' ' 26' ' ' LEU . 41.4 mt -59.99 -29.53 68.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 64.319999999999993 110.868 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -68.87 -44.79 72.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.549999999999997 110.823 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -77.03 -29.78 55.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 73.019999999999996 110.891 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -39.2 81.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 53.310000000000002 110.86 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.411 ' SG ' HD22 ' B' ' 26' ' ' LEU . 1.7 m -67.07 -50.38 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 63.229999999999997 110.913 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.09 -29.88 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.25 110.969 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.49 -31.95 56.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 65.219999999999999 110.884 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.23 -40.87 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 111.096 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.27 57.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 71.25 111.108 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -54.72 -47.07 74.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 63.100000000000001 110.899 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -55.78 -32.73 63.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.230000000000004 110.952 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.23 -26.76 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 75.120000000000005 111.106 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.68 -33.26 62.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 74.010000000000005 110.88 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.12 -33.94 29.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 74.530000000000001 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -28.91 59.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 60.130000000000003 110.986 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -33.4 46.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.140000000000001 110.811 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -51.55 69.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 71.329999999999998 110.936 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.5 mt -77.75 -26.1 49.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 73.219999999999999 110.935 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.17 65.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 73.540000000000006 111.05 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -74.47 -52.33 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.450000000000003 110.856 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.54 -22.59 66.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.13 -0.486 . . . . 72.109999999999999 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.551 ' HB3' HD23 ' B' ' 59' ' ' LEU . 0.2 OUTLIER -50.98 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 71.450000000000003 110.902 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' B' ' 58' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 73.430000000000007 110.9 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.845 0.355 . . . . 71.519999999999996 110.928 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.785 ' HG2' HD22 ' A' ' 59' ' ' LEU . 4.2 mtt180 -61.58 -57.04 13.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 110.877 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -26.23 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.400000000000006 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -65.28 -52.61 53.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 75.430000000000007 110.876 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.27 -48.97 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 70.239999999999995 111.132 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.64 -29.17 24.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 61.240000000000002 111.078 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -41.89 60.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 73.109999999999999 110.87 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 mp -55.05 -32.87 62.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 71.319999999999993 110.875 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.528 ' HD2' HD13 ' A' ' 51' ' ' LEU . 6.8 m-85 -59.29 -46.08 89.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.340000000000003 110.906 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.504 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 3.5 mt-10 -75.04 -31.31 61.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 64.420000000000002 110.868 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -54.42 -26.05 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 61.25 110.858 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -58.48 -40.87 83.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 110.92 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -30.58 24.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 71.049999999999997 110.886 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -59.11 -51.45 69.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 60.119999999999997 110.846 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.49 -34.76 77.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.420000000000002 110.913 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.97 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 54.539999999999999 111.081 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -29.96 67.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 74.340000000000003 110.868 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -31.08 62.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 73.400000000000006 110.889 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.601 ' HB2' HD12 ' B' ' 11' ' ' LEU . . . -70.4 -33.13 71.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 64.530000000000001 111.092 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -70.34 -29.83 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 61.350000000000001 111.069 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -66.89 -31.24 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 64.030000000000001 110.91 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.69 -32.98 66.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 65.140000000000001 110.927 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.66 HD22 ' H ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.3 -36.63 46.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.951 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -25.78 33.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 110.852 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.684 -0.77 . . . . 72.5 112.429 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.908 0.385 . . . . 74.120000000000005 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.66 ' H ' HD22 ' A' ' 26' ' ' LEU . 9.9 tp -58.77 -29.57 66.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 44.119999999999997 110.924 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.5 ttm -51.94 -31.03 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 64.340000000000003 110.867 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -77.02 -55.6 5.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 52.530000000000001 110.903 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.72 -26.47 63.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 41.509999999999998 110.952 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.5 t -69.43 -40.75 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 41.329999999999998 110.916 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -41.41 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.09 -42.28 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 64.200000000000003 110.842 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.56 71.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 32.549999999999997 111.085 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.39 -25.27 54.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 70.510000000000005 111.111 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -73.04 -43.19 62.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 110.936 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -64.07 -26.1 68.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.875 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 13' ' ' GLU . . . -71.45 -46.46 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 72.200000000000003 111.148 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -33.27 62.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 71.430000000000007 110.946 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -70.29 -30.92 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 45.439999999999998 110.88 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.528 HD13 ' HD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -66.05 -28.33 68.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.329999999999998 110.889 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -33.36 68.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 75.439999999999998 110.921 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -41.63 98.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 110.909 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -34.69 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 64.540000000000006 110.937 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.98 -25.28 68.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 64.299999999999997 111.042 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.13 -41.3 50.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 75.099999999999994 110.863 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -78.13 -21.53 50.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.430000000000007 110.871 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -98.77 -72.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 71.329999999999998 110.877 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.785 HD22 ' HG2' ' A' ' 5' ' ' ARG . 63.7 mt . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 53.420000000000002 110.934 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.816 0.341 . . . . 75.510000000000005 110.846 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -51.84 -33.52 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.120000000000005 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -57.91 -46.55 84.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 61.509999999999998 110.953 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -74.81 -30.87 61.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 73.230000000000004 110.888 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.59 ' HB1' HD12 ' A' ' 26' ' ' LEU . . . -51.98 -52.15 52.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 64.219999999999999 111.08 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -30.66 68.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 42.140000000000001 111.055 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -31.95 58.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 74.040000000000006 110.964 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.601 HD12 ' HB2' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -53.55 -33.07 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 53.509999999999998 110.923 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -59.27 -28.17 66.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 71.420000000000002 110.893 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -71.66 -31.15 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.519999999999996 110.95 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.502 ' HG3' HD13 ' B' ' 11' ' ' LEU . 14.0 mm-40 -51.98 -35.22 45.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 75.019999999999996 110.879 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -58.04 -41.58 83.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 74.409999999999997 110.893 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -58.9 -26.22 64.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 75.439999999999998 110.905 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -51.49 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 72.010000000000005 110.855 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -30.47 59.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 71.219999999999999 110.92 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.52 85.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 64.239999999999995 111.123 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.96 -36.37 81.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 75.319999999999993 110.937 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.23 -30.93 70.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 71.219999999999999 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.407 ' HB3' ' SG ' ' B' ' 41' ' ' CYS . . . -76.48 -30.72 57.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 33.409999999999997 111.06 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.38 65.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 74.310000000000002 111.08 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -31.2 62.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 72.329999999999998 110.946 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -41.47 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.349999999999994 110.891 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.604 HD13 ' HB3' ' B' ' 37' ' ' LEU . 4.5 pp -76.6 -24.39 53.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 64.439999999999998 110.888 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.502 ' N ' HD12 ' B' ' 26' ' ' LEU . 0.5 OUTLIER -84.35 -26.33 28.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 65.400000000000006 110.956 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.737 -0.744 . . . . 51.399999999999999 112.471 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.481 -0.248 . . . . 71.109999999999999 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.664 ' HG2' HD23 ' B' ' 40' ' ' LEU . 30.9 tt0 -66.68 -32.74 74.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 71.519999999999996 110.857 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.604 ' HB3' HD13 ' B' ' 26' ' ' LEU . 4.3 mm? -52.65 -33.33 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 110.936 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 4.0 ttt -76.49 -32.48 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.869 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -76.7 -31.39 57.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 72.400000000000006 110.933 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.664 HD23 ' HG2' ' B' ' 36' ' ' GLU . 0.9 OUTLIER -69.01 -36.24 77.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.409999999999997 110.886 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' B' ' 22' ' ' ALA . 1.6 t -73.99 -46.12 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 70.209999999999994 110.871 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.61 -36.35 69.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 63.240000000000002 110.923 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.15 -35.0 75.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 65.420000000000002 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.26 -46.49 64.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 51.43 111.129 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.62 -25.04 62.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 60.420000000000002 111.105 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -63.2 -36.08 82.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 74.109999999999999 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -39.58 71.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 74.150000000000006 110.891 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.89 81.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 43.130000000000003 111.082 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -33.26 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 52.240000000000002 110.905 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -81.12 -30.58 34.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 72.219999999999999 110.867 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -29.57 60.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 51.140000000000001 110.947 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -33.3 63.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.510000000000005 110.92 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -60.97 -51.81 67.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 70.209999999999994 110.906 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.87 -35.03 67.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.450000000000003 110.962 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.65 -27.96 66.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.329999999999998 111.07 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.96 -35.43 59.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 62.32 110.883 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.9 -26.19 60.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 75.310000000000002 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -63.76 -30.49 71.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 70.310000000000002 110.876 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 71.230000000000004 110.922 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.861 0.362 . . . . 74.25 110.981 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -62.13 -28.97 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 72.120000000000005 110.863 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -72.46 -41.1 66.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 65.25 110.892 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -73.26 -32.87 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 54.340000000000003 110.862 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.58 -43.32 60.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 62.409999999999997 111.093 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.94 85.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 111.105 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -72.7 -32.56 65.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 72.040000000000006 110.879 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.556 HD13 ' CB ' ' B' ' 22' ' ' ALA . 1.0 OUTLIER -54.37 -30.58 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 73.109999999999999 110.918 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -55.25 -30.97 61.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 64.200000000000003 110.862 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -34.05 68.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.519999999999996 110.908 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.27 -41.27 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 71.120000000000005 110.913 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -57.78 -51.04 71.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 60.43 110.951 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -68.52 -28.35 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 61.409999999999997 110.922 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -55.45 -51.54 66.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 75.420000000000002 110.882 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.61 -32.69 60.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.93 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.66 99.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 75.420000000000002 111.141 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -63.52 -44.3 94.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 73.219999999999999 110.843 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.35 -32.03 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.420000000000002 110.858 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.26 73.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 33.539999999999999 111.128 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.61 -32.59 74.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.530000000000001 111.092 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -73.76 -32.78 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 53.340000000000003 110.975 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.58 -31.77 63.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 33.100000000000001 110.9 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.949 HD11 HD12 ' A' ' 37' ' ' LEU . 6.2 tt -77.23 -26.2 52.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 65.450000000000003 110.896 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -77.06 -26.99 54.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.219999999999999 110.881 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 73.329999999999998 112.451 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.876 0.37 . . . . 70.430000000000007 110.846 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 1.09 HD11 HD21 ' B' ' 59' ' ' LEU . 1.2 mm? -55.66 -30.7 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 110.892 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.0 mtt -76.16 -32.79 59.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 62.200000000000003 110.869 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.64 -31.2 61.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 71.340000000000003 110.874 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -57.92 -49.0 78.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 63.539999999999999 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -37.04 70.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 71.219999999999999 110.873 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.96 -30.63 71.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.219999999999999 110.926 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -53.67 -44.92 70.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 73.329999999999998 110.906 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.24 -48.85 79.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 75.010000000000005 111.078 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.48 -26.82 68.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 31.210000000000001 111.039 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -36.99 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.549999999999997 110.95 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -30.87 70.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.25 110.874 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.47 65.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 71.010000000000005 111.051 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -71.13 -33.26 69.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 63.530000000000001 110.868 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -81.64 -32.73 31.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 73.329999999999998 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -30.78 71.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 71.319999999999993 110.916 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -33.31 72.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 60.539999999999999 110.878 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -69.6 -41.92 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 110.982 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.73 -37.58 65.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.932 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.97 -28.31 64.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 72.129999999999995 111.093 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -45.39 87.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 74.319999999999993 110.867 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -77.16 -26.95 53.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 75.25 110.857 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -74.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 74.120000000000005 110.92 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.925 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.409 HD12 ' C ' ' B' ' 4' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 71.129999999999995 110.917 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -52.88 63.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.914 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -72.34 -27.72 62.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 63.549999999999997 110.894 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -57.23 13.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 73.299999999999997 110.93 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.58 95.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 74.109999999999999 111.171 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.24 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 54.43 111.15 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -59.57 -40.03 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.530000000000001 110.948 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.87 -30.43 71.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.239999999999995 110.845 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -49.82 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.519999999999996 110.865 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -35.87 74.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 74.319999999999993 110.913 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.504 ' O ' HD23 ' B' ' 18' ' ' LEU . 0.8 OUTLIER -51.71 -52.66 46.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 64.530000000000001 110.895 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.19 -44.34 22.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 110.899 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -29.46 25.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 70.530000000000001 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -77.77 -35.69 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 62.530000000000001 110.867 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.504 HD23 ' O ' ' B' ' 14' ' ' GLU . 3.4 mm? -63.82 -33.16 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 74.040000000000006 111.012 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.33 -42.0 96.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 71.400000000000006 111.067 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.7 -30.13 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 62.130000000000003 110.872 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -74.83 -31.41 61.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 71.150000000000006 110.853 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.556 ' CB ' HD13 ' A' ' 11' ' ' LEU . . . -71.1 -30.85 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 44.32 111.124 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' B' ' 41' ' ' CYS . . . -70.1 -30.56 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 63.25 111.098 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -68.92 -32.6 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 72.430000000000007 110.909 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.46 -32.76 71.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 63.109999999999999 110.927 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.434 HD22 HD13 ' B' ' 37' ' ' LEU . 12.7 mt -73.71 -38.51 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 74.209999999999994 110.904 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.45 -26.81 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.530000000000001 110.881 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.718 -0.753 . . . . 71.040000000000006 112.49 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.475 -0.25 . . . . 74.310000000000002 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.01 -32.87 74.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.914 0.388 . . . . 75.349999999999994 110.927 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.434 HD13 HD22 ' B' ' 26' ' ' LEU . 46.1 mt -54.48 -30.72 54.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 73.510000000000005 110.887 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 25.3 ttp -75.34 -28.98 59.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.84 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -37.37 59.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 74.329999999999998 110.976 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -42.88 89.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 53.32 110.912 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' B' ' 23' ' ' ALA . 0.6 OUTLIER -73.77 -40.71 63.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 62.240000000000002 110.88 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -66.0 -30.56 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 54.520000000000003 110.895 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.41 -40.89 62.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 72.439999999999998 110.923 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.0 -30.69 71.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 64.439999999999998 111.083 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.74 -30.8 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 63.149999999999999 111.118 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -56.15 -53.64 54.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 74.340000000000003 110.848 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . 0.519 ' O ' HD13 ' B' ' 51' ' ' LEU . 9.1 mmpt? -55.81 -26.08 44.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 60.020000000000003 110.917 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.6 -26.58 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 43.229999999999997 111.091 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -74.33 -33.16 63.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.69 -29.48 33.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 72.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.519 HD13 ' O ' ' B' ' 47' ' ' LYS . 3.7 mp -67.1 -46.29 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 71.430000000000007 110.846 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -33.27 63.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.420000000000002 110.882 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -40.63 94.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 55.240000000000002 110.89 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.43 -46.3 23.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 110.958 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 -31.1 64.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.319999999999993 111.096 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -69.42 -48.93 59.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 54.140000000000001 110.975 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -64.66 -26.28 68.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 72.310000000000002 110.839 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.11 -37.53 23.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 73.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 1.09 HD21 HD11 ' A' ' 37' ' ' LEU . 58.6 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 54.409999999999997 110.952 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.822 0.344 . . . . 65.219999999999999 110.908 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 mmt-85 -60.53 -56.09 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 64.209999999999994 110.883 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.38 -37.81 87.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 72.200000000000003 110.844 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.83 -30.66 69.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 70.530000000000001 110.865 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.9 -45.61 64.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 54.539999999999999 111.094 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.513 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -55.28 -45.78 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 54.520000000000003 111.084 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -75.96 -31.95 59.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 64.329999999999998 110.932 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.99 HD21 ' HB1' ' B' ' 22' ' ' ALA . 25.9 tp -53.2 -32.86 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 75.129999999999995 110.916 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -57.5 -27.33 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 75.409999999999997 110.868 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -65.47 -31.39 72.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.140000000000001 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.04 -47.91 64.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 73.310000000000002 110.903 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -55.54 -44.35 76.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 71.209999999999994 110.85 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.689 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 2.2 tptp -52.05 -31.88 32.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 64.099999999999994 110.926 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -53.99 -49.55 68.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 75.540000000000006 110.934 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.087 HD11 HD13 ' B' ' 18' ' ' LEU . 37.4 mt -75.57 -32.88 60.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 75.549999999999997 110.964 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.21 -42.58 99.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 61.109999999999999 111.137 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -38.71 87.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 70.310000000000002 110.898 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.45 -31.06 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 65.420000000000002 110.838 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.461 ' HB2' ' HB3' ' B' ' 11' ' ' LEU . . . -68.71 -32.15 71.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 64.140000000000001 111.096 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.55 -32.42 60.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 34.210000000000001 111.16 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -73.8 -31.33 63.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 54.119999999999997 110.947 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.82 -32.31 61.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 72.099999999999994 110.89 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -76.18 -35.89 58.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 73.439999999999998 110.895 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.81 -26.2 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 51.409999999999997 110.87 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.696 -0.764 . . . . 42.420000000000002 112.468 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.846 0.355 . . . . 70.129999999999995 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.72 -30.65 61.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 74.040000000000006 110.985 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.6 mtm -76.34 -32.85 58.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 71.109999999999999 110.908 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -75.97 -29.64 58.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 62.43 110.913 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.22 -53.44 57.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 73.400000000000006 110.909 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.7 m -66.43 -38.09 86.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 72.510000000000005 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -62.74 -33.82 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 72.420000000000002 110.877 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.36 -44.01 97.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.9 -37.77 86.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.340000000000003 111.105 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.689 ' HB1' ' HD2' ' A' ' 16' ' ' LYS . . . -75.87 -26.64 57.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 62.030000000000001 111.059 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.23 -31.01 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 70.230000000000004 110.874 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -28.3 68.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 51.219999999999999 110.877 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.96 -29.52 64.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 73.030000000000001 111.063 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.36 -33.23 63.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 73.219999999999999 110.853 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.5 -28.45 46.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 62.399999999999999 110.894 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -28.83 64.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 72.340000000000003 110.909 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.513 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -54.16 -33.36 57.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 74.230000000000004 110.923 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -62.44 -43.3 99.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 55.310000000000002 110.956 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.82 -46.89 20.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 71.450000000000003 110.936 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.86 -31.96 42.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 111.103 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -76.09 -33.75 59.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 72.109999999999999 110.847 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.77 -26.1 54.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 74.349999999999994 110.847 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -92.46 -35.41 13.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.239999999999995 110.87 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.494 HD21 HD11 ' B' ' 37' ' ' LEU . 68.7 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 71.439999999999998 110.947 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.741 0.305 . . . . 74.120000000000005 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -64.07 -56.24 16.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.400000000000006 110.869 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.16 -31.17 67.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 65.120000000000005 110.843 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.59 -31.03 68.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.439999999999998 110.88 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -29.02 61.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 45.43 111.102 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.44 -28.72 21.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 51.030000000000001 111.144 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -58.82 -32.08 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 75.519999999999996 110.849 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -73.96 -32.86 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 73.120000000000005 110.907 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.93 -43.11 99.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 63.109999999999999 110.877 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.35 -31.32 62.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 70.109999999999999 110.888 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.17 -25.33 31.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.239999999999995 110.867 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -59.2 -41.21 88.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 61.240000000000002 110.885 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -19.74 60.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 65.109999999999999 110.921 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -49.01 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 61.439999999999998 110.929 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 1.087 HD13 HD11 ' A' ' 18' ' ' LEU . 3.0 mp -75.53 -32.91 60.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 64.129999999999995 110.938 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.16 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 73.219999999999999 111.133 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -68.85 -38.17 79.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.219999999999999 110.899 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.5 -30.94 63.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 64.400000000000006 110.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.99 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -76.28 -30.78 57.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 53.530000000000001 111.019 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.72 -30.01 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.120000000000005 111.095 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -31.87 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.219999999999999 110.933 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.34 -31.44 60.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 70.099999999999994 110.931 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' B' ' 37' ' ' LEU . 9.5 mt -79.93 -29.95 39.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.349999999999994 110.933 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.08 -26.27 20.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 73.299999999999997 110.913 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 54.119999999999997 112.476 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.576 -0.21 . . . . 71.040000000000006 112.576 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.451 ' CG ' HD23 ' B' ' 40' ' ' LEU . 29.4 tt0 -65.73 -28.45 69.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 71.010000000000005 110.859 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.622 ' HB3' HD22 ' B' ' 26' ' ' LEU . 4.4 mm? -59.91 -29.55 68.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 75.340000000000003 110.971 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 38.3 ttm -68.91 -44.53 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 54.340000000000003 110.862 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -77.05 -29.65 55.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 65.200000000000003 110.865 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.451 HD23 ' CG ' ' B' ' 36' ' ' GLU . 0.9 OUTLIER -71.01 -34.14 71.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 63.420000000000002 110.93 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 38.0 t -73.84 -45.1 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 74.209999999999994 110.886 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.19 -29.85 47.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.420000000000002 110.881 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -35.54 48.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.519999999999996 110.843 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -49.72 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 60.219999999999999 111.062 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.26 61.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 71.400000000000006 111.111 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.63 -51.94 67.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 74.099999999999994 110.851 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -51.92 -30.36 24.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 43.420000000000002 110.905 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.6 -36.33 70.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 75.409999999999997 111.074 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.25 -33.21 67.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.120000000000005 110.867 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -78.1 -32.17 50.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 64.099999999999994 110.888 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -28.47 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 63.420000000000002 110.943 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -33.26 48.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.319999999999993 110.88 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -51.21 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 54.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.9 -41.53 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 75.140000000000001 110.845 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.45 -29.14 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 71.150000000000006 111.094 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.49 -44.29 75.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 63.549999999999997 110.914 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.2 -25.46 66.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 72.319999999999993 110.897 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -88.27 -35.34 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 73.209999999999994 110.826 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 63.420000000000002 110.912 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.775 0.321 . . . . 72.239999999999995 110.91 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -69.63 -54.97 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.420000000000002 110.86 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -54.45 -39.83 67.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.230000000000004 110.896 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -31.58 66.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 53.130000000000003 110.865 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.37 -49.46 76.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 55.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.01 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 52.109999999999999 111.121 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -34.93 72.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 75.010000000000005 110.876 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.561 HD11 HD13 ' B' ' 25' ' ' LEU . 1.0 OUTLIER -57.91 -30.85 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 75.010000000000005 110.941 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -60.19 -27.45 67.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 71.299999999999997 110.872 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.69 -32.2 62.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 70.129999999999995 110.881 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -54.76 -37.62 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 63.509999999999998 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -64.86 -52.12 58.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 74.099999999999994 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -33.32 75.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 62.25 110.897 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.55 63.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 71.109999999999999 110.894 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.68 -26.12 57.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 74.319999999999993 110.917 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.79 91.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 63.530000000000001 111.079 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.64 -47.16 86.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 75.129999999999995 110.868 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.89 -30.95 71.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 75.200000000000003 110.925 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.052 ' HB1' HD21 ' B' ' 11' ' ' LEU . . . -67.15 -32.05 72.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.430000000000007 111.104 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.46 -29.8 70.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 52.329999999999998 111.056 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.0 -40.52 71.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 63.399999999999999 110.909 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -35.49 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.230000000000004 110.91 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 37' ' ' LEU . 8.9 mt -68.14 -36.38 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 110.925 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.66 15.71 24.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.874 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 73.230000000000004 112.475 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.86 0.362 . . . . 72.340000000000003 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.541 ' O ' HD13 ' A' ' 26' ' ' LEU . 4.5 mm? -56.94 -30.5 64.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 72.25 110.927 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.1 mtt -74.07 -31.58 62.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.510000000000005 110.921 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -76.97 -32.57 57.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 74.439999999999998 110.906 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -48.6 78.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 75.400000000000006 110.9 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.52 -46.69 68.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 62.329999999999998 110.89 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.64 -45.04 81.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.310000000000002 110.881 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.14 -48.88 78.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 65.310000000000002 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.52 -38.98 67.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 63.32 111.073 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.79 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 61.119999999999997 111.102 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -37.59 88.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 53.130000000000003 110.897 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -32.97 68.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.25 110.878 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.48 69.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 65.019999999999996 111.12 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -33.34 74.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 75.209999999999994 110.889 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -77.47 -31.72 53.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 74.040000000000006 110.884 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -35.81 68.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 45.130000000000003 110.863 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -33.26 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.879 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -40.52 96.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.872 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.6 mp -77.1 -47.87 19.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 65.420000000000002 110.888 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.59 -27.45 49.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 72.430000000000007 111.138 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -76.12 -34.44 59.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 75.219999999999999 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -77.53 -26.33 50.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 53.530000000000001 110.914 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -86.79 -37.18 18.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 70.140000000000001 110.854 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.239999999999995 110.949 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.823 0.344 . . . . 71.349999999999994 110.942 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -35.33 75.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.25 110.863 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.88 -32.37 73.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 61.109999999999999 110.899 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -35.23 64.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 73.340000000000003 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.02 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 74.129999999999995 111.069 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.04 93.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 41.310000000000002 111.133 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -33.73 67.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 75.150000000000006 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 1.052 HD21 ' HB1' ' A' ' 22' ' ' ALA . 5.3 tp -52.03 -37.93 55.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 70.200000000000003 110.837 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -38.23 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.030000000000001 110.919 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -37.21 86.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 74.140000000000001 110.883 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.422 ' O ' HD23 ' B' ' 18' ' ' LEU . 3.3 tt0 -51.6 -53.33 39.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 62.32 110.885 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -45.71 18.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 71.150000000000006 110.926 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -28.82 22.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 71.540000000000006 110.862 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -72.17 -43.62 64.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 71.299999999999997 110.878 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.422 HD23 ' O ' ' B' ' 14' ' ' GLU . 3.9 mm? -58.4 -40.82 83.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 62.399999999999999 110.882 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.33 95.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 52.020000000000003 111.121 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -70.53 -29.92 66.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 73.140000000000001 110.873 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.43 -34.18 65.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.329999999999998 110.899 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.518 ' HB2' HD22 ' A' ' 11' ' ' LEU . . . -68.15 -32.27 72.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.239999999999995 111.103 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.01 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 54.439999999999998 111.102 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -74.01 -32.06 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 53.119999999999997 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.561 HD13 HD11 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -75.47 -32.34 60.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 54.409999999999997 110.964 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.76 -34.7 62.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 72.329999999999998 110.903 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -25.63 24.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.400000000000006 110.844 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 53.340000000000003 112.484 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.492 -0.243 . . . . 44.329999999999998 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -82.95 -33.31 26.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.929 0.395 . . . . 74.329999999999998 110.899 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mt -57.49 -29.64 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 75.25 110.884 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 34.9 ttm -76.46 -29.17 56.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.230000000000004 110.906 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -73.48 -33.52 64.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 61.299999999999997 110.925 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -39.76 78.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 110.926 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -31.98 61.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 40.119999999999997 110.919 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.39 -31.26 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 110.897 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.6 -46.48 67.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 72.099999999999994 110.909 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.31 76.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 72.340000000000003 111.049 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.34 -26.09 55.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 75.540000000000006 111.138 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -47.21 87.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 71.400000000000006 110.933 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -59.15 -33.16 70.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 55.32 110.919 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.09 -32.99 74.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 51.229999999999997 111.085 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -72.53 -33.29 66.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 73.019999999999996 110.859 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.92 -31.91 45.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.219999999999999 110.839 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.31 -31.04 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 75.299999999999997 110.904 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -33.36 68.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 110.894 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -40.61 89.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 74.519999999999996 110.883 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.634 HD12 ' NH1' ' B' ' 58' ' ' ARG . 4.0 mm? -71.46 -44.62 64.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 75.0 110.941 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.71 -27.66 29.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 54.420000000000002 111.135 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.36 -48.41 73.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 61.43 110.889 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.51 -29.28 52.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.219999999999999 110.878 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.634 ' NH1' HD12 ' B' ' 54' ' ' LEU . 11.5 mmp_? -65.62 -38.8 90.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 73.230000000000004 110.886 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 74.439999999999998 110.932 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 71.329999999999998 110.827 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -133.26 164.0 28.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 61.310000000000002 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.41 -27.42 9.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 72.430000000000007 110.862 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp -73.38 -26.34 60.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 60.109999999999999 110.883 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.412 ' HG2' HD23 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -57.45 -54.09 50.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 75.219999999999999 110.882 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -72.43 -28.47 62.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 44.310000000000002 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' OE1' HD23 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.66 -56.91 8.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 74.099999999999994 110.923 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.33 -47.05 69.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.16 -32.1 61.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 73.010000000000005 111.104 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -72.6 -39.97 66.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 75.340000000000003 110.933 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.417 HD23 ' OE1' ' A' ' 7' ' ' GLU . 1.7 mm? -60.54 -31.14 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 64.409999999999997 110.963 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.93 -33.39 74.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 75.329999999999998 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -70.93 -31.5 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 73.310000000000002 110.911 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -42.93 65.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 74.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -61.53 -47.34 86.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 71.430000000000007 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -27.26 67.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 51.210000000000001 110.941 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -50.65 73.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.868 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.59 -31.15 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 64.329999999999998 110.935 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.15 -41.32 90.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 63.229999999999997 111.085 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.69 -43.36 89.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 71.230000000000004 110.894 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -31.65 71.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 62.109999999999999 110.817 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.99 -32.21 66.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 111.103 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.13 -31.19 61.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 71.299999999999997 111.079 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -73.5 -32.2 64.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 74.120000000000005 110.905 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.07 -31.31 61.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 54.100000000000001 110.908 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -29.64 61.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 74.239999999999995 110.969 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -92.15 -26.98 17.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 75.409999999999997 110.832 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.8 -59.96 0.4 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 63.399999999999999 112.554 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.96 -41.7 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.815 -0.707 . . . . 55.240000000000002 112.565 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.35 49.94 0.89 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.692 -0.766 . . . . 35.43 112.453 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.0 -175.54 42.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.757 -0.735 . . . . 65.239999999999995 112.458 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.03 -66.65 0.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.801 -0.714 . . . . 54.0 112.53 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.08 -90.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.717 . . . . 53.140000000000001 112.469 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -108.07 67.06 0.23 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 72.329999999999998 112.44 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.86 74.14 0.21 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.736 . . . . 63.439999999999998 112.541 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -70.03 -32.31 70.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 74.040000000000006 110.89 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.8 mt -54.66 -32.15 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 74.430000000000007 111.024 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.0 ttm -75.1 -29.9 60.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 62.149999999999999 110.895 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -74.85 -34.48 62.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.421 . . . . 72.010000000000005 110.915 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -43.45 98.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.519999999999996 110.855 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -47.07 69.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 73.140000000000001 110.856 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.12 -31.45 67.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 75.319999999999993 110.907 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.85 -38.89 76.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 61.329999999999998 110.862 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.42 85.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.420000000000002 111.09 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.05 -28.91 67.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 53.030000000000001 111.068 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -65.22 -33.26 75.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 72.129999999999995 110.872 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -37.62 86.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 70.0 110.96 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.79 -28.93 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 54.140000000000001 111.151 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.81 -33.22 62.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 70.129999999999995 110.943 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -74.42 -31.71 62.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 60.240000000000002 110.851 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.51 -34.67 63.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 74.340000000000003 110.915 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.78 -33.31 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.349999999999994 110.9 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -45.39 93.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 74.319999999999993 110.874 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.03 -47.77 27.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 73.120000000000005 110.887 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.3 -25.1 58.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.510000000000005 111.092 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.19 -52.08 65.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 72.299999999999997 110.843 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.493 ' HG2' HD11 ' A' ' 62' ' ' LEU . 1.1 tt0 -73.59 -26.77 60.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 71.049999999999997 110.903 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -67.34 -33.05 74.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 110.871 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.052 HD11 HD11 ' B' ' 37' ' ' LEU . 8.2 mp -99.27 -25.89 14.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 75.329999999999998 110.896 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -99.64 97.77 8.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 74.450000000000003 110.891 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -65.88 126.59 28.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 73.120000000000005 110.909 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.493 HD11 ' HG2' ' A' ' 57' ' ' GLU . 1.9 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 70.549999999999997 110.918 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ptt? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.8 0.333 . . . . 63.030000000000001 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt 63.15 162.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 73.519999999999996 110.908 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -149.92 -46.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.409 . . . . 73.129999999999995 110.92 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.07 -37.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 74.040000000000006 110.908 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.5 -56.23 16.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 73.329999999999998 110.848 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.83 -34.29 77.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 72.25 110.885 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -62.57 -34.22 76.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 74.129999999999995 110.85 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -54.35 42.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 62.399999999999999 111.049 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.747 ' HB1' ' CZ ' ' B' ' 52' ' ' PHE . . . -52.99 -33.56 52.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 53.009999999999998 111.111 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -31.95 59.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 61.43 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -31.35 72.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 74.510000000000005 110.918 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -55.6 -27.53 49.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 64.040000000000006 110.922 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.78 -32.45 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 73.150000000000006 110.887 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -51.99 -49.77 62.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 73.420000000000002 110.86 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -58.11 -54.08 51.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.892 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.17 -36.06 60.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.305 -0.407 . . . . 73.349999999999994 110.867 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -46.82 80.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 60.210000000000001 110.896 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.2 -26.88 60.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 73.209999999999994 110.918 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.81 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 73.219999999999999 111.126 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -64.78 -40.73 95.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.049999999999997 110.866 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.26 -32.52 73.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 63.32 110.884 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.78 -32.16 71.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 62.32 111.182 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -32.14 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.519999999999996 111.144 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -73.79 -32.49 63.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 72.310000000000002 110.865 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -31.98 60.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 72.450000000000003 110.958 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.785 HD11 HD12 ' B' ' 37' ' ' LEU . 0.8 OUTLIER -78.38 -30.99 48.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 73.140000000000001 110.913 179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -85.67 -26.72 25.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 64.030000000000001 110.89 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.52 51.62 57.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 53.43 112.438 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.69 -56.25 0.47 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 64.150000000000006 112.437 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.82 167.67 38.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 62.130000000000003 112.502 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.11 -101.18 0.2 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 53.539999999999999 112.512 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.58 129.54 5.34 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.745 . . . . 54.100000000000001 112.514 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.92 54.2 36.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 50.310000000000002 112.509 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.32 -119.52 7.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.795 -0.717 . . . . 35.130000000000003 112.505 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.54 103.84 2.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 72.150000000000006 112.426 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -83.15 -27.85 29.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.948 0.404 . . . . 73.109999999999999 110.878 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 1.052 HD11 HD11 ' A' ' 59' ' ' LEU . 2.8 mm? -51.9 -36.01 47.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.450000000000003 110.871 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.5 ptm -75.88 -30.68 58.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 71.519999999999996 110.862 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -77.12 -29.57 54.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 72.25 110.878 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 tt -73.32 -37.01 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 61.32 110.924 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 51.9 t -69.49 -30.14 67.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 45.039999999999999 110.831 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.28 -35.21 63.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 70.0 110.929 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.88 -45.32 71.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 72.109999999999999 110.846 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.04 -48.12 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 54.450000000000003 111.116 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.18 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 75.409999999999997 111.077 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -36.95 83.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.875 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -41.02 96.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 72.25 110.823 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.2 86.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 63.210000000000001 111.143 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.65 -33.28 73.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 71.450000000000003 110.886 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -74.38 -26.87 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.150000000000006 110.886 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -30.41 66.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 72.319999999999993 110.954 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.747 ' CZ ' ' HB1' ' B' ' 9' ' ' ALA . 0.2 OUTLIER -52.91 -33.22 49.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 74.310000000000002 110.88 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -43.0 82.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 73.409999999999997 110.843 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.02 -37.24 67.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 73.299999999999997 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.5 -28.71 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 52.219999999999999 111.103 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -41.75 89.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 110.876 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.88 -26.45 54.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.894 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -74.89 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 75.549999999999997 110.823 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 56.7 mt -52.74 -37.31 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 72.319999999999993 110.984 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.12 99.19 7.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 72.239999999999995 110.869 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -63.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.239999999999995 110.907 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 74.239999999999995 110.948 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ttm . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.797 0.332 . . . . 74.349999999999994 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -120.04 136.8 54.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 54.520000000000003 110.903 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -116.63 -27.38 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.150000000000006 110.856 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp -59.78 -32.96 71.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 72.400000000000006 110.875 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -35.28 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 71.420000000000002 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -32.31 73.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.219999999999999 110.909 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.464 ' OE2' HD22 ' B' ' 25' ' ' LEU . 21.2 mt-10 -65.16 -33.33 75.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.129999999999995 110.847 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.92 -53.06 45.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 62.299999999999997 111.1 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.86 -31.09 62.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 65.310000000000002 111.1 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.73 -41.75 52.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 72.129999999999995 110.923 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' B' ' 22' ' ' ALA . 1.8 mt -67.53 -31.09 70.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 75.109999999999999 110.874 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -58.45 -34.71 71.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 63.530000000000001 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -34.95 73.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 55.450000000000003 110.898 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.57 -48.08 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 73.549999999999997 110.907 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -55.57 -48.51 74.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.219999999999999 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.99 -28.27 68.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 71.239999999999995 110.898 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -61.68 -46.48 89.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.019999999999996 110.849 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.584 HD13 ' HB3' ' B' ' 14' ' ' GLU . 68.8 mt -74.62 -31.03 61.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.443 . . . . 71.439999999999998 110.916 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.03 -41.62 99.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 71.109999999999999 111.131 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.77 -40.97 96.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 71.099999999999994 110.897 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -31.28 70.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.209999999999994 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.31 -32.25 71.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 73.099999999999994 111.09 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.44 -32.5 71.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 65.010000000000005 111.056 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -66.6 -37.06 84.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 74.120000000000005 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -34.53 77.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 72.120000000000005 110.879 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.982 HD22 HD22 ' A' ' 37' ' ' LEU . 3.1 mt -67.4 -41.52 84.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 75.140000000000001 110.901 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -98.63 18.3 17.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 61.43 110.867 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.63 -60.47 4.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 33.549999999999997 112.522 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.88 -49.71 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 34.030000000000001 112.486 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.12 54.22 0.79 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 34.130000000000003 112.463 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.32 -161.46 50.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 72.340000000000003 112.429 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.44 119.21 3.62 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 55.130000000000003 112.453 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.5 95.15 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.771 -0.728 . . . . 73.109999999999999 112.49 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.98 -127.03 7.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 33.130000000000003 112.482 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.93 -48.26 0.97 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 34.219999999999999 112.491 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.83 -31.3 68.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 75.319999999999993 110.884 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.982 HD22 HD22 ' A' ' 26' ' ' LEU . 7.9 mt -55.29 -30.3 59.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 64.319999999999993 110.916 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.5 ttp -76.39 -32.93 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 73.510000000000005 110.895 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -75.4 -33.94 61.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 75.140000000000001 110.945 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -49.27 75.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 73.310000000000002 110.916 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.8 m -70.61 -46.46 63.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.049999999999997 110.871 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.36 -31.04 63.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 73.230000000000004 110.889 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -59.57 -44.3 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 110.854 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.27 -44.37 97.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.219999999999999 111.128 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.11 -25.23 63.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 72.540000000000006 111.185 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -65.75 -40.46 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.510000000000005 110.919 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -26.81 68.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 73.400000000000006 110.952 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.85 -38.34 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 34.219999999999999 111.134 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.53 -33.28 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 75.310000000000002 110.91 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -73.74 -32.58 63.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 74.510000000000005 110.89 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.38 -29.3 62.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 64.329999999999998 110.95 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.87 -33.23 66.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.140000000000001 110.902 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -47.12 87.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 42.420000000000002 110.902 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -33.63 52.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 61.329999999999998 110.907 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.09 -29.97 70.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 54.119999999999997 111.042 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.03 -47.34 71.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.109999999999999 110.89 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -27.05 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 62.299999999999997 110.851 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -81.63 -74.78 0.32 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 72.5 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.8 mp -52.95 -39.2 62.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 72.549999999999997 110.903 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.19 171.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 73.129999999999995 110.917 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.91 146.3 31.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 63.539999999999999 110.848 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 64.409999999999997 110.85 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.817 0.342 . . . . 73.219999999999999 110.814 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 mttt 62.13 19.25 10.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 73.120000000000005 110.934 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -108.56 -30.68 8.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 55.130000000000003 110.856 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -174.52 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.906 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -49.97 73.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 110.877 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.04 -36.83 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 73.340000000000003 110.854 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -60.16 -40.94 91.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.140000000000001 110.851 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -54.08 45.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.010000000000005 111.095 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.04 -30.7 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 64.340000000000003 111.095 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 -40.0 63.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 75.430000000000007 110.831 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -31.74 71.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 72.420000000000002 110.92 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -55.28 -37.5 67.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 71.340000000000003 110.89 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -31.34 71.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 71.510000000000005 110.855 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.584 ' HB3' HD13 ' A' ' 18' ' ' LEU . 5.0 mm-40 -52.05 -39.75 60.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 63.509999999999998 110.891 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -58.51 -47.46 84.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 73.329999999999998 110.896 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -64.03 -28.53 69.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 71.530000000000001 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -49.6 76.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.209999999999994 110.851 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.93 -32.12 61.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 75.430000000000007 110.912 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.32 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 54.020000000000003 111.098 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.41 -38.27 89.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.239999999999995 110.874 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.19 -34.28 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 72.120000000000005 110.947 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.409 ' HB2' HD22 ' A' ' 11' ' ' LEU . . . -68.1 -30.86 70.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 34.340000000000003 111.093 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.08 -31.39 64.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 63.240000000000002 111.045 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.51 -32.09 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 71.439999999999998 110.86 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.464 HD22 ' OE2' ' A' ' 7' ' ' GLU . 1.8 mt -72.98 -31.72 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 64.329999999999998 110.927 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.491 HD13 ' HB3' ' B' ' 37' ' ' LEU . 40.2 mt -78.18 -26.31 47.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 73.140000000000001 110.922 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -79.1 -31.18 44.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 62.240000000000002 110.874 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.87 25.34 73.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 64.420000000000002 112.45 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 133.22 -42.89 1.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.828 -0.701 . . . . 62.439999999999998 112.502 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.08 173.22 8.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.72 . . . . 30.02 112.509 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -163.98 142.47 7.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 74.209999999999994 112.443 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.22 -62.43 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 71.129999999999995 112.467 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.8 76.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 72.420000000000002 112.493 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.71 -31.86 5.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.864 -0.684 . . . . 53.439999999999998 112.49 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.38 175.07 21.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 74.430000000000007 112.494 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -76.83 -32.66 57.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.85 0.357 . . . . 74.319999999999993 110.863 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.491 ' HB3' HD13 ' B' ' 26' ' ' LEU . 4.1 mm? -54.67 -31.86 58.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 74.439999999999998 110.928 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -30.69 57.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 74.310000000000002 110.864 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -76.12 -34.0 59.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 70.239999999999995 110.843 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.47 -42.71 96.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 75.239999999999995 110.876 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 2.6 m -69.92 -49.58 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 65.120000000000005 110.916 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.92 -30.77 69.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 71.5 110.94 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -49.1 64.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 74.120000000000005 110.872 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.5 76.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 61.539999999999999 111.092 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.37 -30.83 68.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 35.140000000000001 111.081 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -34.19 77.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 74.310000000000002 110.874 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -38.66 88.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 72.150000000000006 110.889 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.2 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 71.140000000000001 111.136 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.28 -33.29 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 75.430000000000007 110.935 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -80.85 -32.23 35.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 71.200000000000003 110.857 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -33.21 67.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -33.36 63.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 65.150000000000006 110.822 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -63.42 -38.86 92.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 44.200000000000003 110.911 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 mp -77.61 -49.49 14.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 110.96 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.82 -31.14 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 64.420000000000002 111.036 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.95 -35.52 59.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 72.310000000000002 110.914 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -73.72 -26.28 60.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 110.908 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -91.37 -34.55 14.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 110.898 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 72.0 mt -95.6 25.16 4.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 71.25 110.938 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.7 116.71 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 73.109999999999999 110.936 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.2 -55.64 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 72.430000000000007 110.884 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.895 0.378 . . . . 75.430000000000007 110.918 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -142.28 139.91 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 74.0 110.8 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.51 -42.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 71.340000000000003 110.95 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.94 -32.32 12.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 75.120000000000005 110.93 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -57.15 11.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 72.120000000000005 110.908 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -39.77 79.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 62.439999999999998 110.891 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.23 -41.55 99.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 73.209999999999994 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.571 ' HA ' HD23 ' A' ' 11' ' ' LEU . . . -69.25 -52.22 29.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 53.25 111.104 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.65 -34.42 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -33.74 58.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 72.310000000000002 110.926 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -54.88 -29.03 54.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 71.129999999999995 110.91 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.4 -28.21 52.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 70.299999999999997 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -31.88 72.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 74.299999999999997 110.905 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -52.02 -51.71 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 72.239999999999995 110.921 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -55.42 -54.44 43.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 75.329999999999998 110.936 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -56.33 -31.72 63.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 71.109999999999999 110.916 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -54.43 -50.47 67.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.917 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.59 -31.05 59.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 51.140000000000001 110.886 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.71 98.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 43.439999999999998 111.095 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.32 -38.47 84.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 75.400000000000006 110.84 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -70.25 -31.14 68.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 73.299999999999997 110.895 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -32.47 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 111.139 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.6 -30.89 71.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.510000000000005 111.115 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -64.4 -32.35 73.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 61.240000000000002 110.893 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -75.07 -30.95 61.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 75.450000000000003 110.891 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' A' ' 37' ' ' LEU . 11.2 mt -77.3 -25.53 51.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 74.109999999999999 110.912 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -96.24 -25.6 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.109999999999999 110.906 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.18 -60.07 8.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 73.129999999999995 112.484 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.08 -28.24 53.39 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 63.310000000000002 112.531 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 173.96 95.29 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.736 . . . . 73.540000000000006 112.468 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.6 64.65 0.37 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 53.219999999999999 112.465 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -128.63 19.77 5.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 73.340000000000003 112.47 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.08 -49.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 60.43 112.5 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.81 19.36 21.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 72.140000000000001 112.562 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.82 66.13 3.11 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 44.43 112.485 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -53.38 -28.42 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 75.120000000000005 110.922 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.656 ' HB3' HD22 ' A' ' 26' ' ' LEU . 20.9 mt -51.9 -30.05 22.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 64.129999999999995 110.927 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.0 ptp -53.75 -32.03 50.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.105 -0.498 . . . . 75.219999999999999 110.833 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -77.02 -33.27 57.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 70.239999999999995 110.895 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -44.27 79.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 65.430000000000007 110.851 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -46.07 33.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 51.439999999999998 110.862 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.04 -44.42 78.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 74.319999999999993 110.968 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -48.03 64.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 73.299999999999997 110.885 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.13 71.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 61.340000000000003 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.26 -25.71 55.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 75.150000000000006 111.069 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -63.33 -49.95 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 70.030000000000001 110.912 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -42.1 67.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 63.409999999999997 110.826 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.05 73.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 45.310000000000002 111.019 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.55 -33.27 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.099999999999994 110.938 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -73.98 -29.83 62.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 75.450000000000003 110.854 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' B' ' 44' ' ' ALA . 15.0 tp -69.62 -29.07 66.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 45.140000000000001 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -33.3 67.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 74.030000000000001 110.926 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -59.93 -38.14 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 73.219999999999999 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -48.49 49.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.916 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.38 68.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 53.32 111.107 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -69.89 -40.18 75.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 55.140000000000001 110.852 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.59 -28.43 56.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 61.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -74.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 62.229999999999997 110.841 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.09 -39.08 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 65.030000000000001 110.9 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -114.9 172.79 6.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.219999999999999 110.872 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -149.76 178.04 9.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 61.329999999999998 110.885 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 44.420000000000002 110.943 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.1 mmt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.805 0.336 . . . . 74.430000000000007 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -65.41 143.64 57.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 71.430000000000007 110.951 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -28.09 25.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 65.150000000000006 110.868 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp -59.02 -32.83 70.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 71.209999999999994 110.877 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -70.5 -43.29 70.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.120000000000005 110.905 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.1 -44.35 91.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 74.409999999999997 110.903 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -77.72 -33.81 52.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 74.120000000000005 110.965 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.71 -49.81 61.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 51.109999999999999 111.082 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.3 -30.72 70.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 73.120000000000005 111.105 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -74.43 -33.44 62.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 62.439999999999998 110.899 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.33 -31.14 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 73.239999999999995 110.902 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -57.94 -29.95 65.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 72.319999999999993 110.799 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.52 -31.31 69.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 75.219999999999999 110.968 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -52.25 -44.97 65.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 75.540000000000006 110.912 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -56.83 -49.22 76.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.898 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -26.26 65.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 74.310000000000002 110.915 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.63 -46.05 90.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 55.009999999999998 110.918 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -75.07 -32.44 61.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 72.129999999999995 110.903 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.87 95.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 71.219999999999999 111.095 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -42.87 91.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 65.219999999999999 110.878 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.28 -31.1 71.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 65.409999999999997 110.872 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.98 69.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 40.530000000000001 111.041 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.91 -32.08 43.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 55.420000000000002 111.106 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -73.7 -32.71 64.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 72.239999999999995 110.808 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.26 -32.28 62.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.283 -0.417 . . . . 74.420000000000002 110.895 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.726 HD21 ' CB ' ' B' ' 37' ' ' LEU . 9.3 tt -76.94 -26.14 53.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 73.230000000000004 110.969 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.29 -26.31 52.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 64.209999999999994 110.908 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.08 -29.55 56.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 45.119999999999997 112.422 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.9 52.47 0.63 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.82 -0.705 . . . . 70.140000000000001 112.477 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.4 -122.14 0.67 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.745 -0.741 . . . . 72.109999999999999 112.47 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.93 115.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.832 -0.699 . . . . 33.340000000000003 112.474 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.12 109.8 0.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 61.350000000000001 112.555 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.99 90.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.711 -0.757 . . . . 61.310000000000002 112.545 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.28 -170.19 26.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 44.420000000000002 112.473 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.4 79.76 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.766 -0.73 . . . . 75.150000000000006 112.471 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -64.73 -32.29 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 72.5 110.905 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.726 ' CB ' HD21 ' B' ' 26' ' ' LEU . 6.2 mt -53.9 -30.55 46.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 65.310000000000002 110.909 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 26.9 mtm -75.15 -31.97 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 72.109999999999999 110.868 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -76.78 -29.79 56.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 72.420000000000002 110.854 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.99 -49.72 74.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 62.409999999999997 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 44.2 t -68.14 -41.17 82.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 55.299999999999997 110.903 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -62.86 -33.65 75.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 52.32 110.877 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.26 -41.78 76.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 73.140000000000001 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.407 ' HB2' HD22 ' A' ' 51' ' ' LEU . . . -68.52 -34.92 76.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 52.310000000000002 111.099 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.52 -25.85 62.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 32.240000000000002 111.106 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -32.07 73.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 63.420000000000002 110.911 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -36.58 79.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 71.329999999999998 110.955 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.99 -43.94 94.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.049999999999997 111.107 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -33.23 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 110.855 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -82.03 -32.05 30.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 74.319999999999993 110.873 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.7 -29.37 63.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 73.150000000000006 110.925 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.51 -33.44 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 65.420000000000002 110.963 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -41.5 89.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 73.340000000000003 110.883 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.82 -43.7 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 63.350000000000001 110.879 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.4 -32.1 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 71.409999999999997 111.11 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.04 -33.79 59.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 64.120000000000005 110.862 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.79 -26.29 54.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 74.340000000000003 110.88 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 -91.34 -34.71 14.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.040000000000006 110.84 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.4 mt -95.66 25.23 4.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 54.140000000000001 110.921 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.07 103.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 75.400000000000006 110.893 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.94 62.16 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 73.409999999999997 110.822 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 64.099999999999994 110.952 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.914 0.388 . . . . 72.0 110.83 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.04 152.75 21.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 71.040000000000006 110.893 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.63 -32.48 4.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 72.219999999999999 110.888 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 4' ' ' LEU . 3.2 pp -101.88 28.11 5.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 74.530000000000001 110.909 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.688 ' CG ' HD12 ' A' ' 59' ' ' LEU . 2.0 tmt_? -71.6 -51.87 21.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 72.439999999999998 110.914 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.87 -40.67 89.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 52.310000000000002 110.921 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.7 -55.11 39.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 63.32 110.91 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' HB1' ' HG ' ' B' ' 26' ' ' LEU . . . -63.67 -40.43 96.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 75.430000000000007 111.045 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -30.82 71.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.420000000000002 111.095 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -32.37 60.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 61.340000000000003 110.879 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.637 HD12 ' HB2' ' B' ' 22' ' ' ALA . 0.3 OUTLIER -52.71 -30.75 34.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 63.020000000000003 110.874 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.62 -30.34 65.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 71.209999999999994 110.846 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.62 -34.91 76.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.209999999999994 110.838 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.42 -50.05 63.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.040000000000006 110.877 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.0 m0 -52.48 -46.33 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.530000000000001 110.922 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HD3' ' HB3' ' A' ' 48' ' ' ALA . 0.7 OUTLIER -63.55 -33.4 75.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 73.019999999999996 110.831 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.92 -46.28 78.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 52.539999999999999 110.966 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.3 mt -75.48 -31.65 60.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 110.889 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.438 ' HB1' ' HB2' ' A' ' 45' ' ' ALA . . . -61.8 -43.91 97.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 73.030000000000001 111.074 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.57 -34.13 75.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.319999999999993 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -31.0 64.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.019999999999996 110.915 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.96 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 72.329999999999998 111.1 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.4 -31.93 58.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 72.329999999999998 111.119 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.61 -32.58 64.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.319999999999993 110.91 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -32.44 68.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 72.510000000000005 110.907 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 tp -78.94 -27.58 43.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 64.109999999999999 110.916 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -79.92 -26.2 40.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 75.400000000000006 110.926 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.51 -56.2 0.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 54.329999999999998 112.519 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.92 -40.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 55.299999999999997 112.504 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.67 -173.38 36.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 44.530000000000001 112.544 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.42 149.79 19.82 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 62.039999999999999 112.471 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.24 -150.87 9.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 55.32 112.522 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.36 160.54 22.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.799 -0.715 . . . . 73.120000000000005 112.457 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.86 -54.26 2.26 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.779 -0.724 . . . . 65.319999999999993 112.485 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -53.37 109.98 1.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.821 -0.704 . . . . 45.240000000000002 112.445 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -79.19 -30.9 43.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 72.030000000000001 110.838 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.1 mt -51.97 -29.52 20.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 53.049999999999997 110.913 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -75.61 -35.96 60.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.530000000000001 110.952 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -71.36 -32.97 69.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 61.020000000000003 110.959 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.683 HD21 ' HD3' ' B' ' 58' ' ' ARG . 1.5 mt -56.63 -51.19 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 110.944 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.1 m -75.44 -31.53 60.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 53.200000000000003 110.892 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.94 -30.97 71.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 73.310000000000002 110.795 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.61 -48.32 75.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 72.409999999999997 110.879 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.71 -40.8 84.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 75.409999999999997 111.125 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.438 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . . . -71.53 -26.67 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 54.420000000000002 111.132 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -38.8 92.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 54.210000000000001 110.858 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -59.97 -42.12 93.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 71.209999999999994 110.873 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.49 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . . . -58.77 -33.91 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 71.140000000000001 111.069 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.76 -33.32 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 62.210000000000001 110.858 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -80.05 -31.56 39.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 74.099999999999994 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.07 -29.82 64.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 73.439999999999998 110.833 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -33.38 66.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.421 . . . . 63.109999999999999 110.893 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -62.45 -49.28 76.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.019999999999996 110.921 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -43.34 80.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 75.450000000000003 110.899 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.99 -25.09 42.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 72.099999999999994 111.112 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -60.14 -44.52 94.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 110.919 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -77.12 -26.23 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 75.120000000000005 110.841 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -69.15 -33.95 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 65.310000000000002 110.889 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.688 HD12 ' CG ' ' A' ' 5' ' ' ARG . 4.4 mm? -99.55 -25.3 14.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.430000000000007 110.9 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.09 162.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 72.5 110.875 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -60.62 117.83 5.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 65.349999999999994 110.907 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 64.219999999999999 110.923 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.853 0.359 . . . . 71.510000000000005 110.847 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -58.18 143.71 43.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 75.549999999999997 110.932 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.552 ' O ' HD12 ' B' ' 4' ' ' LEU . 0.0 OUTLIER -114.17 26.28 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 73.530000000000001 110.856 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.552 HD12 ' O ' ' B' ' 3' ' ' LYS . 0.5 OUTLIER 71.15 -68.62 0.21 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 52.130000000000003 110.901 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -53.3 -29.7 34.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 72.140000000000001 110.863 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.43 -40.94 85.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 71.019999999999996 110.908 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -44.36 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 71.340000000000003 110.872 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.39 83.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 70.129999999999995 111.083 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.76 -36.18 71.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 55.43 111.104 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -71.96 -32.81 67.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.510000000000005 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.22 -31.56 53.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 65.109999999999999 110.83 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -57.26 -34.32 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 110.925 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.14 -32.02 66.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 75.319999999999993 110.917 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -40.18 63.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.495 . . . . 65.530000000000001 110.909 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -57.32 -50.46 72.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 74.340000000000003 110.919 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -26.38 68.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 71.120000000000005 110.941 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -49.83 76.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 65.540000000000006 110.871 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -30.15 60.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 71.310000000000002 110.925 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.1 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 74.530000000000001 111.055 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.21 -39.1 86.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 72.019999999999996 110.9 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -71.88 -31.0 66.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 64.030000000000001 110.902 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 11' ' ' LEU . . . -74.62 -31.59 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 24.440000000000001 111.067 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.26 -32.52 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 72.340000000000003 111.141 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -68.69 -36.58 78.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 70.209999999999994 110.954 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.36 -34.72 77.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 65.319999999999993 110.857 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.419 ' HG ' ' HB1' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -67.46 -42.85 82.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 70.430000000000007 110.964 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.6 18.42 16.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 71.409999999999997 110.878 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.94 -26.57 67.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 65.239999999999995 112.468 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.84 24.55 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 70.25 112.484 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.28 -22.0 6.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 72.219999999999999 112.501 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.33 114.09 3.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 45.229999999999997 112.517 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.56 80.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.768 . . . . 74.129999999999995 112.402 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.9 53.76 2.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 73.219999999999999 112.413 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.45 -108.44 0.88 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.762 -0.732 . . . . 62.210000000000001 112.487 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.45 68.23 0.63 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 70.319999999999993 112.469 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -78.14 -30.85 49.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 74.0 110.928 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mp -52.02 -29.45 21.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 73.219999999999999 110.926 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 12.9 mtt -75.2 -35.99 61.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 72.219999999999999 110.95 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.59 -33.24 70.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 72.109999999999999 110.894 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.71 -35.03 74.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.319999999999993 110.91 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -74.34 -44.3 53.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 63.450000000000003 110.881 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -65.21 -29.85 70.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 110.83 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.8 -49.61 75.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 75.200000000000003 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.23 -40.26 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 64.109999999999999 111.121 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.56 -28.19 62.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 61.109999999999999 111.076 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -36.24 83.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 63.229999999999997 110.93 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -59.33 -35.05 73.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 73.239999999999995 110.941 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -32.51 73.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 75.140000000000001 111.131 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -71.85 -33.41 68.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 62.219999999999999 110.84 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -80.13 -30.98 39.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 72.430000000000007 110.883 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.0 mt -74.25 -31.48 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 74.010000000000005 110.933 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -33.28 74.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 75.430000000000007 110.879 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -63.67 -41.97 98.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.049999999999997 110.884 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.22 -45.63 25.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 71.010000000000005 110.885 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.15 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 74.230000000000004 111.077 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -56.12 -50.98 69.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 64.319999999999993 110.908 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -77.55 -26.41 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 60.450000000000003 110.898 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.683 ' HD3' HD21 ' A' ' 40' ' ' LEU . 11.0 mmp_? -66.2 -36.78 83.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 72.319999999999993 110.924 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.475 HD12 ' C ' ' B' ' 58' ' ' ARG . 9.3 mp -123.23 24.21 8.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 61.030000000000001 110.889 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.96 124.45 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 64.319999999999993 110.886 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -51.91 -46.31 64.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.299999999999997 110.867 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 75.230000000000004 110.857 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ptt? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 73.409999999999997 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.66 -46.33 3.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 63.329999999999998 110.907 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.552 ' O ' HD12 ' A' ' 4' ' ' LEU . 3.3 ptpt -112.97 21.24 15.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 61.130000000000003 110.937 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 71.45 -67.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 75.420000000000002 110.949 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -51.86 -32.35 31.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 74.109999999999999 110.917 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -54.74 -49.82 69.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 73.340000000000003 110.905 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -71.85 -36.16 70.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 71.019999999999996 110.871 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -34.71 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 54.229999999999997 111.188 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.27 -32.51 70.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 65.430000000000007 111.126 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -73.16 -32.66 65.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.875 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.627 HD13 ' HB1' ' B' ' 22' ' ' ALA . 14.2 mt -53.63 -32.59 51.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 72.239999999999995 110.903 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.92 -29.5 69.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 65.219999999999999 110.84 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -33.22 67.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 75.129999999999995 110.923 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -53.64 -46.16 70.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 55.409999999999997 110.912 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.06 -50.43 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 74.349999999999994 110.938 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -58.74 -32.83 69.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 64.430000000000007 110.929 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -51.27 66.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.549999999999997 110.911 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.23 -28.97 62.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 73.230000000000004 110.821 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.41 89.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 62.210000000000001 111.062 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -64.53 -45.87 85.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 71.099999999999994 110.892 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -66.35 -31.07 71.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 64.219999999999999 110.872 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.509 ' HB2' HD22 ' B' ' 11' ' ' LEU . . . -70.96 -31.18 67.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 62.539999999999999 111.107 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.19 -32.42 71.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 72.519999999999996 111.111 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -65.87 -40.7 91.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 73.349999999999994 110.947 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -35.9 82.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 75.530000000000001 110.941 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.58 -37.9 83.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 53.25 110.948 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -98.59 16.51 21.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 63.020000000000003 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.61 -30.53 76.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 43.140000000000001 112.49 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.74 -19.6 10.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 73.439999999999998 112.48 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.62 -159.07 10.92 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.698 -0.763 . . . . 71.010000000000005 112.445 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.68 -160.6 25.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 73.439999999999998 112.491 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.12 -34.4 5.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 51.149999999999999 112.504 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.34 78.61 0.38 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 51.100000000000001 112.487 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.64 107.59 0.31 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.73 -0.748 . . . . 53.210000000000001 112.492 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.28 124.77 0.73 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 71.329999999999998 112.468 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -73.03 -32.03 64.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.936 0.398 . . . . 71.219999999999999 110.973 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.16 -31.57 52.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 74.010000000000005 110.951 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.2 mtt -69.8 -32.71 71.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 74.239999999999995 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -42.58 54.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 72.099999999999994 110.897 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.63 -30.48 67.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 65.409999999999997 110.915 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.51 -49.07 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.319999999999993 110.846 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 70.299999999999997 110.848 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.74 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 55.420000000000002 110.863 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.95 -49.49 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 53.520000000000003 111.126 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.47 66.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 64.099999999999994 111.129 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -62.49 -41.96 99.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 72.5 110.914 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -57.06 -29.52 63.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 72.299999999999997 110.849 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.87 -41.6 82.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 64.409999999999997 111.119 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -33.37 70.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 74.329999999999998 110.953 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.3 -31.91 69.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 74.299999999999997 110.932 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mt -72.01 -29.01 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.957 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -33.37 57.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 73.319999999999993 110.853 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -59.65 -51.26 70.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 73.209999999999994 110.904 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -40.06 69.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 62.130000000000003 110.864 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.94 -30.72 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.109999999999999 111.076 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.92 -48.92 74.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 44.350000000000001 110.889 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.38 -28.45 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 73.420000000000002 110.909 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -75.77 -74.78 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 74.030000000000001 110.915 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.5 mt -55.64 -27.14 48.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 61.210000000000001 110.916 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.3 mttp 56.45 82.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 52.310000000000002 110.948 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -59.45 132.76 54.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 74.209999999999994 110.907 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 64.120000000000005 110.944 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.862 0.363 . . . . 61.399999999999999 110.908 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.16 162.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.299999999999997 110.812 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.17 -42.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 72.340000000000003 110.94 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.17 -33.59 15.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.943 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.465 ' HB3' HD23 ' B' ' 59' ' ' LEU . 2.6 mpt_? -66.86 -40.69 87.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 61.25 110.876 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -69.65 -30.96 68.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 110.885 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.38 -52.81 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 75.349999999999994 110.899 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.466 ' HA ' HD12 ' B' ' 11' ' ' LEU . . . -53.2 -47.64 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 52.240000000000002 111.066 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.74 60.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 51.439999999999998 111.052 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.9 -37.71 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 72.219999999999999 110.932 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' A' ' 22' ' ' ALA . 8.6 mt -56.8 -32.67 65.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 64.019999999999996 110.85 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -61.89 -37.14 83.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 65.519999999999996 110.855 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.63 -32.55 74.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 50.530000000000001 110.957 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -53.57 -44.59 69.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 75.5 110.844 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -56.61 -46.56 80.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 74.430000000000007 110.873 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -60.77 -29.02 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 74.150000000000006 110.9 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -60.11 -51.01 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 71.140000000000001 110.825 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 74.1 mt -69.78 -31.64 69.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.272 -0.422 . . . . 73.230000000000004 110.929 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . . . -59.61 -44.7 93.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 72.329999999999998 111.071 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.71 -43.27 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 65.439999999999998 110.879 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -31.1 72.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 52.329999999999998 110.841 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.627 ' HB1' HD13 ' A' ' 11' ' ' LEU . . . -69.36 -31.61 70.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.319999999999993 111.062 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.1 -30.41 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 70.349999999999994 111.067 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -71.35 -31.76 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 65.310000000000002 110.921 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -31.87 64.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.966 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.663 HD12 ' HB3' ' B' ' 37' ' ' LEU . 4.1 mm? -78.54 -27.76 45.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 110.932 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.73 -27.68 44.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 71.219999999999999 110.832 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.32 -24.6 59.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.738 . . . . 61.32 112.465 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.72 74.35 0.99 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 43.210000000000001 112.485 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.97 -142.33 16.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 61.119999999999997 112.531 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.01 85.54 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 73.549999999999997 112.476 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.09 -152.15 24.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.657 -0.783 . . . . 73.310000000000002 112.477 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.58 -20.84 78.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.712 . . . . 63.030000000000001 112.501 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.15 -79.21 1.34 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 50.32 112.485 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.38 71.86 1.27 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 33.340000000000003 112.478 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.57 -28.32 62.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.903 0.382 . . . . 75.120000000000005 110.952 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.663 ' HB3' HD12 ' B' ' 26' ' ' LEU . 4.5 mm? -60.06 -29.39 68.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 71.209999999999994 110.907 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 30.3 mtt -68.97 -44.59 72.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.519999999999996 110.838 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.01 -29.59 55.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.109999999999999 110.91 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.17 -47.53 78.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 70.129999999999995 110.895 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -39.15 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 62.450000000000003 110.864 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.18 -30.3 71.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 70.409999999999997 110.856 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -37.74 64.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.129999999999995 110.857 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.42 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 73.439999999999998 111.138 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.425 ' HB2' ' CB ' ' B' ' 19' ' ' ALA . . . -69.0 -26.98 65.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 43.539999999999999 111.085 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -60.64 -39.92 90.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 71.549999999999997 110.844 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -33.36 69.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 70.450000000000003 110.865 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 75.129999999999995 111.055 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.44 -33.3 71.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 75.540000000000006 110.87 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -71.21 -29.69 65.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 72.030000000000001 110.917 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.59 -28.6 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 70.329999999999998 110.912 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -33.33 64.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 74.109999999999999 110.874 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -46.82 88.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 70.120000000000005 110.921 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -38.91 48.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 71.109999999999999 110.841 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.84 -27.32 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 54.340000000000003 111.141 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -63.52 -44.21 94.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 73.120000000000005 110.852 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.43 -27.03 52.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 110.872 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 43.5 mmt-85 -69.34 -33.04 72.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 72.319999999999993 110.867 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' B' ' 5' ' ' ARG . 8.1 mp -99.31 -25.9 14.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 61.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -118.29 107.81 14.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 74.140000000000001 110.868 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -98.32 -70.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 74.409999999999997 110.882 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 72.5 110.869 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.838 0.351 . . . . 61.119999999999997 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.47 138.19 58.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 64.319999999999993 110.875 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.542 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -116.28 26.03 10.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 70.109999999999999 110.921 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 71.16 -68.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 63.240000000000002 110.988 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.465 ' O ' HD12 ' A' ' 59' ' ' LEU . 3.0 mtp85 -52.3 -39.86 61.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 110.905 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -68.58 -35.28 77.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.450000000000003 110.903 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -33.87 63.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 73.409999999999997 110.91 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.555 ' HB1' HD11 ' B' ' 26' ' ' LEU . . . -51.93 -43.84 63.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 70.420000000000002 111.127 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.62 -34.87 76.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 71.109999999999999 111.055 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -32.15 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 72.030000000000001 110.899 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.612 HD12 ' HB2' ' B' ' 22' ' ' ALA . 0.2 OUTLIER -54.12 -30.57 49.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 64.310000000000002 110.885 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.4 -28.65 55.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 110.91 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -33.14 68.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 73.120000000000005 110.891 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.24 -45.42 65.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 72.409999999999997 110.884 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -59.19 -50.53 73.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 74.230000000000004 110.858 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -52.44 -29.59 25.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 74.340000000000003 110.878 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -55.09 -51.43 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 64.450000000000003 110.883 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.2 mt -74.51 -32.59 62.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 73.329999999999998 110.896 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.96 99.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 61.210000000000001 111.104 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.3 -37.22 83.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 72.349999999999994 110.87 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -32.34 70.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 74.430000000000007 110.882 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.698 ' HA ' HD13 ' B' ' 11' ' ' LEU . . . -68.78 -30.87 69.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 74.329999999999998 111.112 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.98 -32.46 57.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 111.128 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -33.25 68.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 75.109999999999999 110.848 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -30.93 60.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 61.520000000000003 110.892 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp -79.31 -26.54 42.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 72.319999999999993 110.846 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -94.11 -25.98 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 61.340000000000003 110.912 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.31 -53.54 0.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 74.230000000000004 112.471 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.97 -64.16 0.19 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 74.129999999999995 112.467 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.32 90.44 1.18 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.735 . . . . 74.409999999999997 112.541 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -136.3 167.73 24.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 75.099999999999994 112.556 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.27 105.21 0.25 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.803 -0.713 . . . . 72.120000000000005 112.549 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.7 76.93 0.96 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 73.120000000000005 112.541 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.68 62.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 52.149999999999999 112.447 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -179.49 131.17 1.63 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 42.520000000000003 112.509 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -83.2 -47.02 12.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 72.319999999999993 110.868 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mp -55.34 -33.79 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 74.510000000000005 110.917 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.4 ptm -76.5 -28.44 56.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 75.530000000000001 110.876 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -32.77 57.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 62.329999999999998 110.857 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -35.46 80.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 61.530000000000001 110.917 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -42.38 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 71.519999999999996 110.883 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.58 -30.03 71.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 110.88 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.09 -46.17 85.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 72.510000000000005 110.833 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.96 96.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 62.329999999999998 111.121 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -28.39 66.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 45.130000000000003 111.074 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -63.3 -29.33 70.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.904 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -61.61 -32.68 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 71.319999999999993 110.896 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.14 67.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 63.350000000000001 111.108 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.93 -33.4 68.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.89 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -79.18 -28.92 42.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 75.420000000000002 110.937 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.6 mt -73.82 -28.56 61.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 71.310000000000002 110.925 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -33.34 70.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 75.319999999999993 110.912 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -48.3 81.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 64.310000000000002 110.91 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.78 -25.77 49.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 75.439999999999998 110.916 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.66 67.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 73.120000000000005 111.082 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -76.11 -31.42 58.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 65.120000000000005 110.866 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -77.8 -22.54 49.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 72.030000000000001 110.921 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.568 ' HB3' HD23 ' A' ' 59' ' ' LEU . 28.1 mtt-85 -71.26 -76.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 75.510000000000005 110.864 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -123.5 12.68 9.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 64.510000000000005 110.973 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt 51.87 -169.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 71.019999999999996 110.854 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -116.3 -45.92 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 43.299999999999997 110.839 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 71.239999999999995 110.868 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.798 0.332 . . . . 62.229999999999997 110.839 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -76.43 158.89 30.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.418 . . . . 73.430000000000007 110.898 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.51 28.17 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 61.539999999999999 110.941 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mp -143.9 -55.31 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 71.140000000000001 110.973 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -51.84 61.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 75.319999999999993 110.893 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.02 -31.63 71.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 74.319999999999993 110.901 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -45.41 68.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 54.100000000000001 110.834 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.7 -52.15 64.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 61.350000000000001 111.11 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.93 -29.24 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 44.329999999999998 111.075 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.63 -33.02 60.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 63.530000000000001 110.986 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.698 HD13 ' HA ' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -62.25 -31.14 71.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 63.119999999999997 110.847 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -55.92 -39.31 71.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 75.219999999999999 110.868 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -73.16 -35.62 66.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 54.539999999999999 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -25.29 33.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 54.219999999999999 110.847 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 41.4 m0 -59.64 -41.49 90.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 74.510000000000005 110.98 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -67.14 -21.56 65.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 74.140000000000001 110.951 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -50.67 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 71.140000000000001 110.904 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.5 -32.84 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.409999999999997 110.897 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.21 -44.49 95.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 50.109999999999999 111.092 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -68.72 -31.86 71.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 72.310000000000002 110.837 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.65 -31.84 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 64.340000000000003 110.875 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.612 ' HB2' HD12 ' A' ' 11' ' ' LEU . . . -70.72 -30.94 67.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 75.030000000000001 111.102 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.17 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 72.329999999999998 111.106 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -64.45 -33.58 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 64.030000000000001 110.905 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.5 -30.87 61.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 110.896 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.734 HD23 ' HB3' ' B' ' 37' ' ' LEU . 7.5 mp -75.95 -25.68 56.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.430000000000007 110.895 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -96.55 -25.92 15.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 74.430000000000007 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.82 -23.12 55.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 53.100000000000001 112.475 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.35 -26.13 40.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.669 -0.777 . . . . 70.239999999999995 112.463 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.54 88.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 63.130000000000003 112.502 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.43 62.24 0.11 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.72 . . . . 64.310000000000002 112.562 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.27 -93.22 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 75.349999999999994 112.453 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.31 -71.78 0.91 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.657 -0.782 . . . . 70.400000000000006 112.465 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.91 91.18 1.49 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 62.009999999999998 112.474 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -140.96 102.35 0.31 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 14.130000000000001 112.475 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -70.42 -28.34 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.349 . . . . 75.140000000000001 110.845 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.734 ' HB3' HD23 ' B' ' 26' ' ' LEU . 41.4 mt -59.99 -29.53 68.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 64.319999999999993 110.868 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -68.87 -44.79 72.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.549999999999997 110.823 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -77.03 -29.78 55.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 73.019999999999996 110.891 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -39.2 81.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 53.310000000000002 110.86 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.411 ' SG ' HD22 ' B' ' 26' ' ' LEU . 1.7 m -67.07 -50.38 61.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 63.229999999999997 110.913 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.09 -29.88 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.25 110.969 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -54.49 -31.95 56.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 65.219999999999999 110.884 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.23 -40.87 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 111.096 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.27 57.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 71.25 111.108 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -54.72 -47.07 74.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 63.100000000000001 110.899 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -55.78 -32.73 63.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 75.230000000000004 110.952 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.23 -26.76 62.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 75.120000000000005 111.106 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.68 -33.26 62.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 74.010000000000005 110.88 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.12 -33.94 29.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 74.530000000000001 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -28.91 59.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 60.130000000000003 110.986 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -33.4 46.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.140000000000001 110.811 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -51.55 69.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 71.329999999999998 110.936 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.5 mt -77.75 -26.1 49.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 73.219999999999999 110.935 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.17 65.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 73.540000000000006 111.05 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -74.47 -52.33 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.450000000000003 110.856 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.54 -22.59 66.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.13 -0.486 . . . . 72.109999999999999 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.551 ' HB3' HD23 ' B' ' 59' ' ' LEU . 0.2 OUTLIER -50.98 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 71.450000000000003 110.902 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' B' ' 58' ' ' ARG . 0.1 OUTLIER -116.02 30.5 7.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 73.430000000000007 110.9 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.99 47.25 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 72.329999999999998 110.883 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -69.63 162.39 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 72.049999999999997 110.923 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 73.340000000000003 110.942 179.914 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 73.439999999999998 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.07 123.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 64.109999999999999 110.955 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.8 -34.19 6.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 74.420000000000002 110.922 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -178.75 -36.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 71.519999999999996 110.928 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.785 ' HG2' HD22 ' A' ' 59' ' ' LEU . 4.2 mtt180 -61.58 -57.04 13.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 110.877 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -26.23 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.400000000000006 110.896 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -65.28 -52.61 53.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 75.430000000000007 110.876 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.27 -48.97 67.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 70.239999999999995 111.132 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.64 -29.17 24.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 61.240000000000002 111.078 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -41.89 60.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 73.109999999999999 110.87 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.8 mp -55.05 -32.87 62.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 71.319999999999993 110.875 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.528 ' HD2' HD13 ' A' ' 51' ' ' LEU . 6.8 m-85 -59.29 -46.08 89.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.340000000000003 110.906 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.504 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 3.5 mt-10 -75.04 -31.31 61.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 64.420000000000002 110.868 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -54.42 -26.05 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 61.25 110.858 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -58.48 -40.87 83.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 110.92 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -30.58 24.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 71.049999999999997 110.886 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -59.11 -51.45 69.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 60.119999999999997 110.846 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.49 -34.76 77.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.420000000000002 110.913 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.97 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 54.539999999999999 111.081 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -29.96 67.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 74.340000000000003 110.868 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.23 -31.08 62.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 73.400000000000006 110.889 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.601 ' HB2' HD12 ' B' ' 11' ' ' LEU . . . -70.4 -33.13 71.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.477 . . . . 64.530000000000001 111.092 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -70.34 -29.83 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 61.350000000000001 111.069 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -66.89 -31.24 71.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 64.030000000000001 110.91 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.69 -32.98 66.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 65.140000000000001 110.927 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.66 HD22 ' H ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.3 -36.63 46.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.951 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -25.78 33.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 110.852 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.72 -82.26 0.22 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.684 -0.77 . . . . 72.5 112.429 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.85 -55.88 0.04 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.732 -0.747 . . . . 63.119999999999997 112.446 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.34 86.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 54.210000000000001 112.486 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.23 69.14 1.26 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 35.340000000000003 112.501 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.1 -72.69 1.29 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.72 -0.753 . . . . 45.340000000000003 112.469 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.95 107.42 0.2 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 72.109999999999999 112.433 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.56 -124.2 7.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 60.340000000000003 112.487 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.57 101.43 0.55 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 75.129999999999995 112.503 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -77.39 -30.96 53.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.908 0.385 . . . . 74.120000000000005 110.921 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.66 ' H ' HD22 ' A' ' 26' ' ' LEU . 9.9 tp -58.77 -29.57 66.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 44.119999999999997 110.924 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.5 ttm -51.94 -31.03 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 64.340000000000003 110.867 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -77.02 -55.6 5.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 52.530000000000001 110.903 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.72 -26.47 63.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 41.509999999999998 110.952 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.5 t -69.43 -40.75 77.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 41.329999999999998 110.916 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -41.41 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.861 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.09 -42.28 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 64.200000000000003 110.842 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.56 71.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 32.549999999999997 111.085 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.39 -25.27 54.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 70.510000000000005 111.111 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -73.04 -43.19 62.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 110.936 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -64.07 -26.1 68.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.875 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 13' ' ' GLU . . . -71.45 -46.46 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 72.200000000000003 111.148 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -33.27 62.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 71.430000000000007 110.946 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -70.29 -30.92 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 45.439999999999998 110.88 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.528 HD13 ' HD2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -66.05 -28.33 68.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.329999999999998 110.889 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -33.36 68.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 75.439999999999998 110.921 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -41.63 98.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 110.909 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -34.69 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 64.540000000000006 110.937 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.98 -25.28 68.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 64.299999999999997 111.042 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.13 -41.3 50.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 75.099999999999994 110.863 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -78.13 -21.53 50.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.430000000000007 110.871 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -98.77 -72.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 71.329999999999998 110.877 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.785 HD22 ' HG2' ' A' ' 5' ' ' ARG . 63.7 mt -89.04 47.6 1.52 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 53.420000000000002 110.934 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 177.9 34.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.019999999999996 110.877 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -56.26 -33.8 65.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 65.239999999999995 110.891 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 73.0 110.924 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.809 0.338 . . . . 75.019999999999996 110.886 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.65 146.72 13.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 74.310000000000002 110.89 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.555 ' O ' HD12 ' B' ' 4' ' ' LEU . 14.7 ptpt -112.61 21.74 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 110.861 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.555 HD12 ' O ' ' B' ' 3' ' ' LYS . 0.5 OUTLIER 71.47 -68.08 0.23 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 75.510000000000005 110.846 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -51.84 -33.52 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.120000000000005 110.839 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -57.91 -46.55 84.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 61.509999999999998 110.953 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -74.81 -30.87 61.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 73.230000000000004 110.888 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.59 ' HB1' HD12 ' A' ' 26' ' ' LEU . . . -51.98 -52.15 52.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 64.219999999999999 111.08 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -30.66 68.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 42.140000000000001 111.055 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -31.95 58.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 74.040000000000006 110.964 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.601 HD12 ' HB2' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -53.55 -33.07 53.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 53.509999999999998 110.923 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -59.27 -28.17 66.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 71.420000000000002 110.893 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -71.66 -31.15 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.519999999999996 110.95 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.502 ' HG3' HD13 ' B' ' 11' ' ' LEU . 14.0 mm-40 -51.98 -35.22 45.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 75.019999999999996 110.879 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -58.04 -41.58 83.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 74.409999999999997 110.893 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -58.9 -26.22 64.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 75.439999999999998 110.905 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -51.49 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 72.010000000000005 110.855 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.63 -30.47 59.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 71.219999999999999 110.92 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.1 -46.52 85.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 64.239999999999995 111.123 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.96 -36.37 81.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 75.319999999999993 110.937 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.23 -30.93 70.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 71.219999999999999 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.407 ' HB3' ' SG ' ' B' ' 41' ' ' CYS . . . -76.48 -30.72 57.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 33.409999999999997 111.06 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.38 65.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 74.310000000000002 111.08 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -31.2 62.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 72.329999999999998 110.946 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -41.47 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.349999999999994 110.891 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.604 HD13 ' HB3' ' B' ' 37' ' ' LEU . 4.5 pp -76.6 -24.39 53.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 64.439999999999998 110.888 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.502 ' N ' HD12 ' B' ' 26' ' ' LEU . 0.5 OUTLIER -84.35 -26.33 28.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 65.400000000000006 110.956 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 132.31 -82.69 0.31 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.737 -0.744 . . . . 51.399999999999999 112.471 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.71 43.14 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.759 . . . . 54.539999999999999 112.441 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.72 -67.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 42.0 112.437 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.6 136.05 7.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 75.340000000000003 112.429 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.78 76.19 1.1 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.718 -0.753 . . . . 54.310000000000002 112.566 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -157.58 -125.26 0.84 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.698 -0.763 . . . . 71.219999999999999 112.488 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.85 126.31 2.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.818 -0.706 . . . . 61.420000000000002 112.511 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.22 141.35 3.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 71.109999999999999 112.481 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.664 ' HG2' HD23 ' B' ' 40' ' ' LEU . 30.9 tt0 -66.68 -32.74 74.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 71.519999999999996 110.857 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.604 ' HB3' HD13 ' B' ' 26' ' ' LEU . 4.3 mm? -52.65 -33.33 46.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 110.936 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 4.0 ttt -76.49 -32.48 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.869 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -76.7 -31.39 57.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 72.400000000000006 110.933 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.664 HD23 ' HG2' ' B' ' 36' ' ' GLU . 0.9 OUTLIER -69.01 -36.24 77.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.409999999999997 110.886 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' B' ' 22' ' ' ALA . 1.6 t -73.99 -46.12 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 70.209999999999994 110.871 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -56.61 -36.35 69.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 63.240000000000002 110.923 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.15 -35.0 75.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 65.420000000000002 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.26 -46.49 64.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 51.43 111.129 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.62 -25.04 62.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 60.420000000000002 111.105 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -63.2 -36.08 82.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 74.109999999999999 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -39.58 71.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 74.150000000000006 110.891 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.89 81.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 43.130000000000003 111.082 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -33.26 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 52.240000000000002 110.905 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -81.12 -30.58 34.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 72.219999999999999 110.867 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -29.57 60.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 51.140000000000001 110.947 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -33.3 63.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.510000000000005 110.92 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -60.97 -51.81 67.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 70.209999999999994 110.906 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -72.87 -35.03 67.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.450000000000003 110.962 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.65 -27.96 66.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.329999999999998 111.07 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.96 -35.43 59.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 62.32 110.883 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -73.9 -26.19 60.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 75.310000000000002 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -63.76 -30.49 71.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 70.310000000000002 110.876 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.36 11.27 10.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 71.230000000000004 110.922 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -60.58 133.38 56.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 72.299999999999997 110.886 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -55.76 164.72 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 72.420000000000002 110.911 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 63.240000000000002 110.928 179.915 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 70.439999999999998 110.876 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -167.76 -39.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 54.200000000000003 110.893 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -26.64 61.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 70.439999999999998 110.933 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pp -102.04 -26.22 13.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 74.25 110.981 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -62.13 -28.97 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 72.120000000000005 110.863 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -72.46 -41.1 66.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 65.25 110.892 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -73.26 -32.87 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 54.340000000000003 110.862 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.58 -43.32 60.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 62.409999999999997 111.093 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.94 85.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 111.105 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -72.7 -32.56 65.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 72.040000000000006 110.879 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.556 HD13 ' CB ' ' B' ' 22' ' ' ALA . 1.0 OUTLIER -54.37 -30.58 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 73.109999999999999 110.918 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -55.25 -30.97 61.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 64.200000000000003 110.862 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -34.05 68.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.519999999999996 110.908 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.27 -41.27 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 71.120000000000005 110.913 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -57.78 -51.04 71.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 60.43 110.951 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -68.52 -28.35 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 61.409999999999997 110.922 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -55.45 -51.54 66.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 75.420000000000002 110.882 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.61 -32.69 60.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.93 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.66 99.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 75.420000000000002 111.141 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -63.52 -44.3 94.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 73.219999999999999 110.843 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.35 -32.03 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 72.420000000000002 110.858 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.26 73.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 33.539999999999999 111.128 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.61 -32.59 74.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.530000000000001 111.092 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -73.76 -32.78 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 53.340000000000003 110.975 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.58 -31.77 63.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 33.100000000000001 110.9 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.949 HD11 HD12 ' A' ' 37' ' ' LEU . 6.2 tt -77.23 -26.2 52.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 65.450000000000003 110.896 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -77.06 -26.99 54.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.219999999999999 110.881 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.27 26.92 16.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 73.329999999999998 112.451 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.83 34.42 65.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 64.219999999999999 112.467 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 164.82 -41.06 0.3 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 53.210000000000001 112.545 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.97 128.54 6.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.803 -0.713 . . . . 75.209999999999994 112.505 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.76 116.14 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 60.539999999999999 112.491 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.81 130.47 0.18 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.776 -0.726 . . . . 61.439999999999998 112.473 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.88 -149.13 19.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 30.140000000000001 112.489 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.63 -55.66 0.38 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.683 -0.77 . . . . 54.399999999999999 112.45 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -60.9 -32.91 72.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.37 . . . . 70.430000000000007 110.846 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.09 HD11 HD21 ' B' ' 59' ' ' LEU . 1.2 mm? -55.66 -30.7 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 110.892 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.0 mtt -76.16 -32.79 59.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 62.200000000000003 110.869 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.64 -31.2 61.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 71.340000000000003 110.874 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -57.92 -49.0 78.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 63.539999999999999 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -37.04 70.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 71.219999999999999 110.873 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.96 -30.63 71.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.219999999999999 110.926 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -53.67 -44.92 70.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 73.329999999999998 110.906 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.24 -48.85 79.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 75.010000000000005 111.078 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.48 -26.82 68.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 31.210000000000001 111.039 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -36.99 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.549999999999997 110.95 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -30.87 70.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.25 110.874 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.31 -29.47 65.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 71.010000000000005 111.051 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -71.13 -33.26 69.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 63.530000000000001 110.868 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -81.64 -32.73 31.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 73.329999999999998 110.889 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -30.78 71.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 71.319999999999993 110.916 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -33.31 72.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 60.539999999999999 110.878 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -69.6 -41.92 75.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 110.982 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -73.73 -37.58 65.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.932 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.97 -28.31 64.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 72.129999999999995 111.093 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -45.39 87.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 74.319999999999993 110.867 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -77.16 -26.95 53.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 75.25 110.857 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -74.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 74.120000000000005 110.92 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.19 -28.77 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.925 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.51 86.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 52.100000000000001 110.954 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -68.99 -27.05 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 63.350000000000001 110.975 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 61.530000000000001 110.931 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.799 0.333 . . . . 73.299999999999997 110.866 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 mmtm -90.79 149.04 22.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 62.119999999999997 110.887 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -86.62 -34.96 19.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 71.129999999999995 110.898 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.409 HD12 ' C ' ' B' ' 4' ' ' LEU . 4.4 pp -57.04 -29.0 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 71.129999999999995 110.917 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -52.88 63.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.914 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -72.34 -27.72 62.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 63.549999999999997 110.894 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -57.23 13.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 73.299999999999997 110.93 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.58 95.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 74.109999999999999 111.171 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.24 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 54.43 111.15 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -59.57 -40.03 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.530000000000001 110.948 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.87 -30.43 71.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.239999999999995 110.845 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -49.82 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.519999999999996 110.865 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -35.87 74.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 74.319999999999993 110.913 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.504 ' O ' HD23 ' B' ' 18' ' ' LEU . 0.8 OUTLIER -51.71 -52.66 46.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 64.530000000000001 110.895 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.19 -44.34 22.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 110.899 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -29.46 25.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 70.530000000000001 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -77.77 -35.69 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 62.530000000000001 110.867 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.504 HD23 ' O ' ' B' ' 14' ' ' GLU . 3.4 mm? -63.82 -33.16 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 74.040000000000006 111.012 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.33 -42.0 96.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 71.400000000000006 111.067 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.7 -30.13 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 62.130000000000003 110.872 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -74.83 -31.41 61.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 71.150000000000006 110.853 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.556 ' CB ' HD13 ' A' ' 11' ' ' LEU . . . -71.1 -30.85 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 44.32 111.124 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' B' ' 41' ' ' CYS . . . -70.1 -30.56 67.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 63.25 111.098 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -68.92 -32.6 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 72.430000000000007 110.909 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.46 -32.76 71.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 63.109999999999999 110.927 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.434 HD22 HD13 ' B' ' 37' ' ' LEU . 12.7 mt -73.71 -38.51 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 74.209999999999994 110.904 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.45 -26.81 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.530000000000001 110.881 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.41 73.94 0.35 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.718 -0.753 . . . . 71.040000000000006 112.49 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.25 -33.27 3.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 73.420000000000002 112.483 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.09 88.47 1.99 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 52.109999999999999 112.469 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.5 -93.19 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 54.130000000000003 112.447 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.12 -125.93 0.48 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.767 -0.73 . . . . 71.540000000000006 112.473 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.16 49.95 47.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 74.25 112.472 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.92 -77.14 0.4 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.718 -0.753 . . . . 41.530000000000001 112.503 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.71 -71.23 0.24 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.73 -0.748 . . . . 74.310000000000002 112.475 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.01 -32.87 74.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.914 0.388 . . . . 75.349999999999994 110.927 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.434 HD13 HD22 ' B' ' 26' ' ' LEU . 46.1 mt -54.48 -30.72 54.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 73.510000000000005 110.887 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 25.3 ttp -75.34 -28.98 59.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.84 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -37.37 59.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 74.329999999999998 110.976 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -42.88 89.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 53.32 110.912 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' B' ' 23' ' ' ALA . 0.6 OUTLIER -73.77 -40.71 63.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 62.240000000000002 110.88 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -66.0 -30.56 71.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 54.520000000000003 110.895 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -52.41 -40.89 62.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 72.439999999999998 110.923 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.0 -30.69 71.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 64.439999999999998 111.083 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.74 -30.8 61.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 63.149999999999999 111.118 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -56.15 -53.64 54.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 74.340000000000003 110.848 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.519 ' O ' HD13 ' B' ' 51' ' ' LEU . 9.1 mmpt? -55.81 -26.08 44.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 60.020000000000003 110.917 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.6 -26.58 60.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 43.229999999999997 111.091 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -74.33 -33.16 63.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.69 -29.48 33.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 72.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.519 HD13 ' O ' ' B' ' 47' ' ' LYS . 3.7 mp -67.1 -46.29 74.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 71.430000000000007 110.846 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -33.27 63.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.420000000000002 110.882 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -40.63 94.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 55.240000000000002 110.89 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.43 -46.3 23.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 110.958 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 -31.1 64.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.319999999999993 111.096 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -69.42 -48.93 59.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 54.140000000000001 110.975 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -64.66 -26.28 68.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 72.310000000000002 110.839 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.11 -37.53 23.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 73.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 1.09 HD21 HD11 ' A' ' 37' ' ' LEU . 58.6 mt -98.59 24.42 7.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 54.409999999999997 110.952 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -68.56 -74.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.230000000000004 110.938 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 171.38 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 61.219999999999999 110.91 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 64.310000000000002 110.967 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.794 0.331 . . . . 60.549999999999997 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.51 -163.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 62.119999999999997 110.928 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.66 36.06 22.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 75.310000000000002 110.878 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.53 -26.78 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 65.219999999999999 110.908 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 mmt-85 -60.53 -56.09 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 64.209999999999994 110.883 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.38 -37.81 87.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 72.200000000000003 110.844 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.83 -30.66 69.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 70.530000000000001 110.865 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.9 -45.61 64.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 54.539999999999999 111.094 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -55.28 -45.78 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 54.520000000000003 111.084 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mttp -75.96 -31.95 59.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 64.329999999999998 110.932 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.99 HD21 ' HB1' ' B' ' 22' ' ' ALA . 25.9 tp -53.2 -32.86 50.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 75.129999999999995 110.916 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -57.5 -27.33 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 75.409999999999997 110.868 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -65.47 -31.39 72.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.140000000000001 110.94 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.04 -47.91 64.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 73.310000000000002 110.903 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -55.54 -44.35 76.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 71.209999999999994 110.85 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.689 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 2.2 tptp -52.05 -31.88 32.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 64.099999999999994 110.926 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -53.99 -49.55 68.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 75.540000000000006 110.934 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.087 HD11 HD13 ' B' ' 18' ' ' LEU . 37.4 mt -75.57 -32.88 60.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 75.549999999999997 110.964 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.21 -42.58 99.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 61.109999999999999 111.137 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -38.71 87.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 70.310000000000002 110.898 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -68.45 -31.06 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 65.420000000000002 110.838 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.461 ' HB2' ' HB3' ' B' ' 11' ' ' LEU . . . -68.71 -32.15 71.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 64.140000000000001 111.096 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.55 -32.42 60.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 34.210000000000001 111.16 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -73.8 -31.33 63.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 54.119999999999997 110.947 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.82 -32.31 61.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 72.099999999999994 110.89 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -76.18 -35.89 58.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 73.439999999999998 110.895 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.81 -26.2 25.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 51.409999999999997 110.87 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.77 67.38 2.15 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.696 -0.764 . . . . 42.420000000000002 112.468 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.3 -33.44 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 45.200000000000003 112.431 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.14 88.83 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.774 -0.727 . . . . 73.450000000000003 112.535 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.84 -170.82 32.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.789 -0.72 . . . . 61.25 112.518 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.08 -121.24 0.65 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 61.009999999999998 112.408 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.69 138.09 17.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.667 -0.778 . . . . 63.539999999999999 112.535 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.55 53.33 39.47 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.666 -0.778 . . . . 54.399999999999999 112.414 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.93 103.26 2.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 61.340000000000003 112.503 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -62.71 -32.85 74.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 70.129999999999995 110.908 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.72 -30.65 61.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 74.040000000000006 110.985 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.6 mtm -76.34 -32.85 58.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 71.109999999999999 110.908 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -75.97 -29.64 58.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 62.43 110.913 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.22 -53.44 57.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 73.400000000000006 110.909 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.7 m -66.43 -38.09 86.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 72.510000000000005 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -62.74 -33.82 75.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 72.420000000000002 110.877 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.36 -44.01 97.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.9 -37.77 86.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.340000000000003 111.105 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.689 ' HB1' ' HD2' ' A' ' 16' ' ' LYS . . . -75.87 -26.64 57.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 62.030000000000001 111.059 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.23 -31.01 67.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 70.230000000000004 110.874 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -28.3 68.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 51.219999999999999 110.877 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.96 -29.52 64.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 73.030000000000001 111.063 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.36 -33.23 63.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 73.219999999999999 110.853 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.5 -28.45 46.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 62.399999999999999 110.894 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.15 -28.83 64.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 72.340000000000003 110.909 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.513 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -54.16 -33.36 57.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 74.230000000000004 110.923 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.0 mttp -62.44 -43.3 99.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 55.310000000000002 110.956 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.82 -46.89 20.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 71.450000000000003 110.936 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.86 -31.96 42.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 111.103 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -76.09 -33.75 59.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 72.109999999999999 110.847 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.77 -26.1 54.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 74.349999999999994 110.847 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -92.46 -35.41 13.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 74.239999999999995 110.87 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.494 HD21 HD11 ' B' ' 37' ' ' LEU . 68.7 mt -96.99 25.36 5.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 71.439999999999998 110.947 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.53 124.21 20.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 61.530000000000001 110.897 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.4 109.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 65.140000000000001 110.883 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 73.209999999999994 110.861 179.905 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.814 0.34 . . . . 74.510000000000005 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.33 19.27 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 71.409999999999997 110.975 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -82.28 -40.21 21.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.230000000000004 110.867 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.73 -26.27 61.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 74.120000000000005 110.885 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -64.07 -56.24 16.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.400000000000006 110.869 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.16 -31.17 67.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 65.120000000000005 110.843 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -69.59 -31.03 68.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.439999999999998 110.88 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -29.02 61.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 45.43 111.102 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.44 -28.72 21.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 51.030000000000001 111.144 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -58.82 -32.08 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 75.519999999999996 110.849 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 1.0 OUTLIER -73.96 -32.86 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 73.120000000000005 110.907 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.93 -43.11 99.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 63.109999999999999 110.877 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.35 -31.32 62.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 70.109999999999999 110.888 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.17 -25.33 31.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.239999999999995 110.867 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -59.2 -41.21 88.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 61.240000000000002 110.885 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -19.74 60.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 65.109999999999999 110.921 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -49.01 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 61.439999999999998 110.929 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 1.087 HD13 HD11 ' A' ' 18' ' ' LEU . 3.0 mp -75.53 -32.91 60.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 64.129999999999995 110.938 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.16 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 73.219999999999999 111.133 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -68.85 -38.17 79.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.219999999999999 110.899 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.5 -30.94 63.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 64.400000000000006 110.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.99 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -76.28 -30.78 57.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 53.530000000000001 111.019 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.72 -30.01 20.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.120000000000005 111.095 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -31.87 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.219999999999999 110.933 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mt -75.34 -31.44 60.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 70.099999999999994 110.931 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' B' ' 37' ' ' LEU . 9.5 mt -79.93 -29.95 39.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.349999999999994 110.933 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.08 -26.27 20.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 73.299999999999997 110.913 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 52.31 66.57 2.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 54.119999999999997 112.476 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -167.21 26.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 65.409999999999997 112.529 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.03 -63.88 3.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.673 -0.775 . . . . 72.099999999999994 112.468 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.98 34.38 0.22 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.78 -0.724 . . . . 72.430000000000007 112.537 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.35 130.6 1.54 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.703 -0.76 . . . . 73.430000000000007 112.515 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.49 -157.53 15.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.813 -0.708 . . . . 64.299999999999997 112.54 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -143.95 93.02 0.17 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.718 -0.753 . . . . 64.319999999999993 112.403 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -152.09 148.89 20.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.822 -0.704 . . . . 71.040000000000006 112.576 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.451 ' CG ' HD23 ' B' ' 40' ' ' LEU . 29.4 tt0 -65.73 -28.45 69.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 71.010000000000005 110.859 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.622 ' HB3' HD22 ' B' ' 26' ' ' LEU . 4.4 mm? -59.91 -29.55 68.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 75.340000000000003 110.971 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 38.3 ttm -68.91 -44.53 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 54.340000000000003 110.862 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -77.05 -29.65 55.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 65.200000000000003 110.865 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.451 HD23 ' CG ' ' B' ' 36' ' ' GLU . 0.9 OUTLIER -71.01 -34.14 71.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 63.420000000000002 110.93 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 38.0 t -73.84 -45.1 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 74.209999999999994 110.886 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.19 -29.85 47.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.420000000000002 110.881 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -35.54 48.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 74.519999999999996 110.843 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -49.72 76.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 60.219999999999999 111.062 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.26 61.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 71.400000000000006 111.111 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.63 -51.94 67.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 74.099999999999994 110.851 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -51.92 -30.36 24.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 43.420000000000002 110.905 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.6 -36.33 70.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 75.409999999999997 111.074 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.25 -33.21 67.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.120000000000005 110.867 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -78.1 -32.17 50.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 64.099999999999994 110.888 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -28.47 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 63.420000000000002 110.943 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -33.26 48.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.319999999999993 110.88 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -51.21 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 54.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.9 -41.53 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 75.140000000000001 110.845 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.45 -29.14 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 71.150000000000006 111.094 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.49 -44.29 75.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 63.549999999999997 110.914 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.2 -25.46 66.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 72.319999999999993 110.897 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -88.27 -35.34 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 73.209999999999994 110.826 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.7 mp -95.85 24.37 5.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 63.420000000000002 110.912 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 56.17 -177.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 55.43 110.861 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -154.16 26.36 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 60.439999999999998 110.89 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 64.140000000000001 110.961 179.787 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.847 0.356 . . . . 75.120000000000005 110.866 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.12 148.61 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.230000000000004 110.919 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.63 -47.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 53.43 110.885 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 pp -98.93 -26.07 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 72.239999999999995 110.91 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -69.63 -54.97 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.420000000000002 110.86 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -54.45 -39.83 67.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.230000000000004 110.896 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -31.58 66.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 53.130000000000003 110.865 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.37 -49.46 76.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 55.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.01 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 52.109999999999999 111.121 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -34.93 72.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 75.010000000000005 110.876 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.561 HD11 HD13 ' B' ' 25' ' ' LEU . 1.0 OUTLIER -57.91 -30.85 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 75.010000000000005 110.941 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -60.19 -27.45 67.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 71.299999999999997 110.872 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.69 -32.2 62.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 70.129999999999995 110.881 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -54.76 -37.62 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 63.509999999999998 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -64.86 -52.12 58.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 74.099999999999994 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -33.32 75.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 62.25 110.897 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.55 63.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 71.109999999999999 110.894 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.68 -26.12 57.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 74.319999999999993 110.917 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.79 91.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 63.530000000000001 111.079 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.64 -47.16 86.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 75.129999999999995 110.868 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -62.89 -30.95 71.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 75.200000000000003 110.925 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.052 ' HB1' HD21 ' B' ' 11' ' ' LEU . . . -67.15 -32.05 72.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.430000000000007 111.104 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.46 -29.8 70.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 52.329999999999998 111.056 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.0 -40.52 71.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 63.399999999999999 110.909 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -35.49 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.230000000000004 110.91 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 37' ' ' LEU . 8.9 mt -68.14 -36.38 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 110.925 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.66 15.71 24.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.874 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.93 -68.7 1.53 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 73.230000000000004 112.475 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.28 19.57 53.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 41.049999999999997 112.458 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.77 100.43 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 74.430000000000007 112.447 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -160.51 74.75 0.2 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.771 -0.728 . . . . 70.239999999999995 112.518 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.07 37.96 0.69 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 71.239999999999995 112.495 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.41 -125.93 0.82 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.676 -0.773 . . . . 51.340000000000003 112.471 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.95 -35.51 61.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 12.140000000000001 112.477 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.36 34.38 87.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 63.520000000000003 112.456 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -61.35 -31.91 71.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 72.340000000000003 110.863 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.541 ' O ' HD13 ' A' ' 26' ' ' LEU . 4.5 mm? -56.94 -30.5 64.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 72.25 110.927 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.1 mtt -74.07 -31.58 62.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.510000000000005 110.921 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -76.97 -32.57 57.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 74.439999999999998 110.906 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -48.6 78.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 75.400000000000006 110.9 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.52 -46.69 68.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 62.329999999999998 110.89 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -56.64 -45.04 81.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.310000000000002 110.881 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.14 -48.88 78.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 65.310000000000002 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.52 -38.98 67.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 63.32 111.073 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.79 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 61.119999999999997 111.102 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -37.59 88.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 53.130000000000003 110.897 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -32.97 68.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.25 110.878 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.48 69.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 65.019999999999996 111.12 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -33.34 74.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 75.209999999999994 110.889 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -77.47 -31.72 53.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 74.040000000000006 110.884 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -35.81 68.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 45.130000000000003 110.863 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -33.26 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.879 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -40.52 96.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 110.872 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.6 mp -77.1 -47.87 19.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 65.420000000000002 110.888 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.59 -27.45 49.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 72.430000000000007 111.138 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -76.12 -34.44 59.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 75.219999999999999 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -77.53 -26.33 50.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 53.530000000000001 110.914 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -86.79 -37.18 18.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 70.140000000000001 110.854 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.0 mt -101.37 24.38 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 73.239999999999995 110.949 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.25 132.84 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 75.150000000000006 110.949 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -79.19 -51.56 9.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.530000000000001 110.914 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 64.109999999999999 110.927 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 12.4 mtt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.817 0.342 . . . . 72.109999999999999 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -160.73 160.89 31.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 75.129999999999995 110.892 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 55.65 26.17 8.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 54.0 110.883 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.01 -27.07 26.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 71.349999999999994 110.942 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -35.33 75.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.25 110.863 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.88 -32.37 73.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 61.109999999999999 110.899 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -35.23 64.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 73.340000000000003 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.52 -45.02 95.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 74.129999999999995 111.069 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.04 93.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 41.310000000000002 111.133 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -33.73 67.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 75.150000000000006 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 1.052 HD21 ' HB1' ' A' ' 22' ' ' ALA . 5.3 tp -52.03 -37.93 55.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 70.200000000000003 110.837 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -38.23 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.030000000000001 110.919 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -37.21 86.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 74.140000000000001 110.883 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.422 ' O ' HD23 ' B' ' 18' ' ' LEU . 3.3 tt0 -51.6 -53.33 39.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 62.32 110.885 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.77 -45.71 18.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 71.150000000000006 110.926 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -28.82 22.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 71.540000000000006 110.862 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -72.17 -43.62 64.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 71.299999999999997 110.878 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.422 HD23 ' O ' ' B' ' 14' ' ' GLU . 3.9 mm? -58.4 -40.82 83.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 62.399999999999999 110.882 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.33 95.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 52.020000000000003 111.121 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -70.53 -29.92 66.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 73.140000000000001 110.873 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.43 -34.18 65.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.329999999999998 110.899 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.518 ' HB2' HD22 ' A' ' 11' ' ' LEU . . . -68.15 -32.27 72.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.239999999999995 111.103 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.25 -33.01 70.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 54.439999999999998 111.102 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -74.01 -32.06 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 53.119999999999997 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.561 HD13 HD11 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -75.47 -32.34 60.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 54.409999999999997 110.964 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -74.76 -34.7 62.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 72.329999999999998 110.903 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.13 -25.63 24.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.400000000000006 110.844 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.19 -27.89 24.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 53.340000000000003 112.484 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -52.19 -28.73 27.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 64.129999999999995 112.516 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 155.31 51.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 61.240000000000002 112.502 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.2 -59.62 0.98 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 31.149999999999999 112.491 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.82 -114.23 6.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 52.149999999999999 112.462 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.57 -30.88 62.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 71.120000000000005 112.488 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -169.45 160.41 33.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 22.239999999999998 112.514 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.89 152.74 20.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 44.329999999999998 112.492 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -82.95 -33.31 26.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.929 0.395 . . . . 74.329999999999998 110.899 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mt -57.49 -29.64 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 75.25 110.884 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 34.9 ttm -76.46 -29.17 56.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.230000000000004 110.906 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -73.48 -33.52 64.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 61.299999999999997 110.925 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -39.76 78.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 110.926 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.73 -31.98 61.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 40.119999999999997 110.919 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.39 -31.26 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 110.897 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -52.6 -46.48 67.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 72.099999999999994 110.909 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.31 76.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 72.340000000000003 111.049 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.34 -26.09 55.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 75.540000000000006 111.138 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -47.21 87.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 71.400000000000006 110.933 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -59.15 -33.16 70.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 55.32 110.919 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.09 -32.99 74.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 51.229999999999997 111.085 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -72.53 -33.29 66.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 73.019999999999996 110.859 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.92 -31.91 45.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.219999999999999 110.839 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -68.31 -31.04 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 75.299999999999997 110.904 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -33.36 68.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 110.894 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -40.61 89.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 74.519999999999996 110.883 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.634 HD12 ' NH1' ' B' ' 58' ' ' ARG . 4.0 mm? -71.46 -44.62 64.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 75.0 110.941 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.71 -27.66 29.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 54.420000000000002 111.135 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.36 -48.41 73.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 61.43 110.889 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.51 -29.28 52.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.219999999999999 110.878 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.634 ' NH1' HD12 ' B' ' 54' ' ' LEU . 11.5 mmp_? -65.62 -38.8 90.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 73.230000000000004 110.886 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 16.5 mt -111.01 23.57 13.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 74.439999999999998 110.932 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.58 -172.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 71.5 110.865 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.11 163.74 39.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 72.200000000000003 110.894 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 61.340000000000003 110.928 179.928 . . . . . . . . 1 1 . 1 stop_ save_