data_1nr3_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 1nr3 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 6' ' ' TRP . . . . . 0.608 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 8' ' ' GLN . 99.9 p -97.7 45.41 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.406 ' CB ' ' O ' ' A' ' 7' ' ' SER . 2.6 tm0? 79.11 63.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.222 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -75.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -139.09 -92.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' ALA . 15.6 mt -71.29 -2.07 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.23 -37.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.416 ' CG ' ' H ' ' A' ' 14' ' ' GLU . 20.9 ptt85 -54.4 -55.47 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.416 ' H ' ' CG ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -61.38 -28.33 69.16 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.44 1.088 . . . . 0.0 110.255 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.446 ' HG ' ' HA ' ' A' ' 80' ' ' HIS . 7.8 mp -68.5 -57.98 5.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -51.92 -31.47 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.457 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 23.7 m -71.85 -27.43 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -87.35 122.55 31.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 178.43 52.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 110.227 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.23 65.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.225 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 52.92 21.23 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -91.04 -139.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -49.83 -60.49 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 37.84 56.27 1.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 36.5 mt -67.95 -26.73 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.608 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 10.1 mt-10 -69.59 -52.09 29.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -47.34 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -59.42 -58.3 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.8 -55.89 8.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.363 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -54.34 -35.86 63.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.98 -23.04 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -42.57 90.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -46.66 -44.98 18.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 mt -41.15 -57.06 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.94 44.48 30.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -78.02 149.65 76.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.045 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 149.46 36.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.4 t -152.31 161.59 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.46 135.07 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 pt -152.16 147.81 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.4 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -100.97 148.4 25.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.182 . . . . 0.0 109.323 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.0 t -112.79 140.82 47.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.192 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -125.04 -172.92 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -51.24 126.05 15.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.426 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -47.99 -31.56 8.22 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.581 1.176 . . . . 0.0 111.037 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.0 -18.68 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.495 HG21 ' CD1' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -115.72 6.09 14.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.417 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 tp -49.73 -41.3 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -56.88 -50.8 71.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -35.9 66.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.495 ' CD1' HG21 ' A' ' 59' ' ' THR . 0.6 OUTLIER -60.22 -29.91 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.403 HG21 ' OD2' ' A' ' 81' ' ' ASP . 8.5 mt -60.83 -43.44 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.6 -38.4 83.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -34.71 71.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 3.9 mt -64.99 -52.39 56.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.548 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -49.51 -45.32 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' O ' ' CD ' ' A' ' 73' ' ' LYS . 2.6 mm-40 -56.33 -24.66 45.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -93.42 -41.0 10.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 74' ' ' GLU . 65.3 m -86.39 -66.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.063 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 t30 -42.2 -28.32 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -61.69 -48.26 81.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.4 pt-20 -106.08 12.44 30.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.69 -168.72 12.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.407 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 7.3 tp -91.61 149.47 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -48.94 99.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 109.605 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.25 142.47 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.407 ' CD1' ' O ' ' A' ' 14' ' ' GLU . 2.7 pt -117.56 49.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.446 ' HA ' ' HG ' ' A' ' 15' ' ' LEU . 12.8 m-70 -86.88 166.37 15.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.651 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.403 ' OD2' HG21 ' A' ' 64' ' ' ILE . 65.2 m-20 -107.78 162.84 13.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.1 t -60.28 -30.89 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 36.8 mt -73.26 -34.56 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.492 ' CG2' HD21 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -79.32 -32.38 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.368 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.503 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 4.9 mp -60.06 -41.45 92.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.56 96.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -71.35 -50.55 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.492 HD21 ' CG2' ' A' ' 84' ' ' THR . 7.6 mp -59.46 -40.34 86.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.606 ' O ' ' N ' ' A' ' 93' ' ' ALA . 66.3 mt -68.15 -52.02 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -39.17 -35.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -45.78 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.533 ' CD ' ' HA ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -89.16 0.37 56.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.606 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -171.92 80.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.1 p -79.8 3.31 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.968 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -87.56 -84.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.615 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.461 ' CD ' ' O ' ' A' ' 114' ' ' GLY . 4.3 mtp180 -102.69 110.46 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.404 1.065 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -114.87 171.57 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.6 p -97.65 145.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.262 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -116.42 -177.77 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.612 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -144.17 129.63 18.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.28 149.91 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.469 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 7.7 p -129.25 81.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -178.09 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.37 177.13 8.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.2 138.7 31.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.559 ' CZ ' ' CG2' ' A' ' 118' ' ' VAL . 0.9 OUTLIER -137.61 165.86 25.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.568 1.167 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 4.2 mt-10 -148.14 140.91 24.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.215 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -136.88 144.8 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.414 ' N ' HD11 ' A' ' 117' ' ' ILE . . . -156.37 159.02 29.14 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.514 HG22 ' CG2' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -152.74 164.5 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.2 p -115.7 -25.83 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.501 1.125 . . . . 0.0 110.441 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.43 -50.37 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 1.9 m-20 158.76 -24.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.461 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -76.02 -73.08 1.02 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -83.08 133.75 35.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.551 ' CD1' ' N ' ' A' ' 117' ' ' ILE . 0.5 OUTLIER -128.45 168.85 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 116' ' ' ILE . 2.8 pp -131.37 140.26 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.559 ' CG2' ' CZ ' ' A' ' 106' ' ' PHE . 14.3 p -131.34 154.57 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -166.46 171.7 11.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -109.13 20.46 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 120' ' ' LEU . 5.2 t30 61.28 139.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.646 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.9 t -69.31 -75.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.84 53.78 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -68.84 -75.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.45 -84.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.424 ' C ' ' N ' ' A' ' 13' ' ' ARG . 11.8 mt -72.46 -4.58 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.34 -27.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -65.54 -56.57 11.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.32 -22.86 66.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.269 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 80' ' ' HIS . 9.8 mp -77.39 -59.07 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -50.5 -30.58 13.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 m -77.49 -27.49 51.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -86.9 125.66 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' NH2' ' HG3' ' A' ' 27' ' ' ARG . 0.9 OUTLIER 175.41 61.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.245 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -71.57 58.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.1 m120 47.47 27.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 76' ' ' ILE . 8.3 p -106.59 5.54 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.41 -79.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.051 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 44.29 58.11 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 21.6 mt -72.05 -32.45 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.646 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 1.9 pp20? -67.72 -48.79 65.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.415 ' HG3' ' NH2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -63.15 -53.9 46.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -57.84 -57.1 14.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' HD21 ' A' ' 40' ' ' LEU . 11.8 t0 -70.85 -55.85 7.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -50.55 -39.08 48.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -78.75 -27.79 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.627 1.204 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -36.76 78.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 46' ' ' LEU . 38.8 t -48.38 -46.25 36.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.399 1.062 . . . . 0.0 109.962 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.5 mt -39.3 -55.33 1.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.6 mttm 67.6 62.85 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -99.06 142.0 23.86 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.77 35.7 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.4 t -145.01 148.52 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.11 133.15 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.244 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.49 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -156.91 147.95 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.406 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -98.53 148.92 23.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.8 t -111.7 132.86 54.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.82 -173.12 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.21 134.37 27.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.88 -19.1 35.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 111.065 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.4 -7.74 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -127.32 6.55 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.7 tp -55.26 -44.44 75.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' A' ' 62' ' ' GLU . 7.6 p-10 -50.91 -49.15 60.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -73.81 -36.35 64.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -23.3 32.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 64' ' ' ILE . 0.9 OUTLIER -65.77 -48.23 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.538 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER -66.18 -35.16 79.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.538 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -73.72 -37.07 65.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.25 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.49 HD23 ' CG2' ' A' ' 52' ' ' ILE . 2.8 mt -72.33 -42.0 65.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -47.01 -43.02 19.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -25.09 32.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . 4.1 mm-40 -94.11 -40.58 9.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.324 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 72' ' ' ASN . 2.0 m -86.14 -67.13 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -39.09 -33.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.43 -59.64 5.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.01 7.28 18.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.3 -177.75 15.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.48 HG21 ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -96.36 158.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.244 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -40.45 99.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.607 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.44 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 2.3 t -134.59 139.51 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.9 pt -116.12 41.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.47 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 35.0 m-70 -89.55 166.42 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.612 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.481 ' CB ' HG13 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -119.98 167.69 11.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.2 t -55.03 -37.55 66.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.4 mt -61.42 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.449 ' N ' ' OD1' ' A' ' 81' ' ' ASP . 0.9 OUTLIER -73.2 -35.96 66.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 110.404 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.481 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.7 OUTLIER -60.04 -38.71 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.74 -47.53 84.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -71.8 -49.34 39.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mp -57.84 -38.62 75.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.244 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 93' ' ' ALA . 77.5 mt -72.61 -51.14 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -38.53 -34.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.266 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -46.09 68.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.87 1.07 56.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -174.1 80.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 p -81.53 6.98 13.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.013 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -91.41 -84.91 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -98.38 104.53 16.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -116.89 172.16 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 p -97.5 147.14 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -116.21 -173.99 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.581 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.01 115.83 7.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.406 HG21 ' N ' ' A' ' 102' ' ' VAL . 6.5 p -108.36 149.4 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.228 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.406 ' N ' HG21 ' A' ' 101' ' ' VAL . 1.6 t -123.53 67.76 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.78 176.72 8.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -105.22 136.33 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.582 ' CD1' ' HG ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -144.5 135.05 24.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.556 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 29.2 mt-10 -100.35 146.16 27.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 117' ' ' ILE . 0.1 OUTLIER -136.92 146.09 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.41 161.68 31.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -155.7 158.43 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.784 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.7 p -109.01 -23.88 11.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.94 -52.3 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.64 -26.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.19 -75.59 0.76 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.87 137.2 36.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.225 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.468 ' CG2' HG23 ' A' ' 110' ' ' VAL . 0.7 OUTLIER -129.39 169.03 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.8 pp -131.99 140.21 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.556 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -133.07 153.53 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -173.09 122.25 0.39 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.582 ' HG ' ' CD1' ' A' ' 106' ' ' PHE . 3.9 mp -81.3 51.33 1.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.613 1.196 . . . . 0.0 109.368 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 120' ' ' LEU . 9.6 t-20 61.54 139.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.624 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 t -73.64 76.26 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.958 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 38.54 62.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -76.08 -78.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.29 -90.46 0.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.411 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 9.5 mt -80.22 6.03 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -39.84 -33.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -56.41 22.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.413 1.071 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.39 -30.13 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 110.333 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.49 ' CD1' ' OD1' ' A' ' 81' ' ' ASP . 7.4 mp -69.73 -47.6 62.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -36.9 71.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -73.77 -27.77 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.93 123.27 28.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' ASN . 1.0 OUTLIER 178.19 46.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -68.33 63.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' ARG . 74.4 m-20 54.42 23.13 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 t -96.53 -126.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -57.59 -70.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 39.35 57.13 2.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 40' ' ' LEU . 32.2 mt -74.6 -31.3 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.624 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 1.6 pp20? -67.42 -43.33 81.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -52.27 29.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -56.11 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' A' ' 25' ' ' ILE . 1.4 pt? . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -64.97 -57.74 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -53.87 -32.52 53.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -80.21 -25.45 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.55 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -68.07 -41.49 81.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.55 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.5 t -51.72 -42.42 62.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mt -39.9 -55.08 2.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 66.19 59.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.71 147.81 34.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.411 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 18.5 Cg_endo -74.88 149.07 36.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 111.069 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 49' ' ' PRO . 50.9 t -153.83 154.29 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.78 141.35 18.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.534 ' HB ' ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -157.9 147.64 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tt -96.34 149.13 22.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 106' ' ' PHE . 0.5 OUTLIER -116.9 131.86 56.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 108.293 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.5 -172.8 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 126.42 16.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.403 ' H ' ' CB ' ' A' ' 102' ' ' VAL . . . -47.38 -33.35 8.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.422 1.077 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.4 -19.39 9.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.491 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -115.6 10.67 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.389 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.462 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 6.0 tp -57.37 -41.72 80.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.448 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 6.1 p-10 -54.65 -48.87 71.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.3 tt0 -73.48 -39.96 64.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.491 ' CD1' HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -58.56 -27.78 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.541 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 9.3 mt -61.44 -49.9 82.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.517 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 2.7 pttt -63.64 -33.49 75.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.517 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.2 mmp_? -73.64 -33.73 64.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.534 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 25.1 mt -61.93 -49.14 77.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -46.4 -51.83 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -53.3 -22.6 7.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.388 1.055 . . . . 0.0 110.258 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.4 mm-40 -93.51 -42.25 9.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' GLU . 75.2 m -91.7 -65.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.0 t30 -39.29 -30.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.84 -53.51 56.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.5 pp20? -93.53 4.51 53.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -124.72 -170.55 13.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 2.8 mm -91.87 162.96 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 0.738 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.486 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 6.8 t-160 -53.64 99.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.661 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.94 138.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.5 pt -116.78 52.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 3.4 m-70 -87.82 168.31 13.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.49 ' OD1' ' CD1' ' A' ' 15' ' ' LEU . 70.3 m-20 -107.57 161.66 14.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.4 t -60.74 -30.23 69.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 mt -74.53 -34.58 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.417 HG21 ' CD1' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -77.46 -33.37 54.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.478 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 1.0 OUTLIER -59.93 -38.16 81.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.48 82.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.234 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -46.75 61.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.699 ' CD2' ' CD2' ' A' ' 80' ' ' HIS . 5.6 mp -62.43 -50.12 72.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 93' ' ' ALA . 52.9 mt -62.06 -50.24 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -39.07 -35.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -67.82 -45.28 75.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.78 1.1 56.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -170.57 78.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.7 p -76.76 0.8 19.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -87.12 -96.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.86 108.95 20.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.54 171.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.5 p -93.11 148.54 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -122.4 -174.04 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.583 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.462 ' HD3' ' CD1' ' A' ' 60' ' ' LEU . 6.8 ppt_? -165.99 119.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.17 150.05 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.403 ' CB ' ' H ' ' A' ' 57' ' ' GLY . 14.3 p -111.41 82.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -177.26 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.94 176.98 8.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.3 139.26 39.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.559 ' CZ ' HD13 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -155.36 137.03 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 15.7 mt-10 -104.92 139.85 39.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -129.56 137.86 55.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.406 ' C ' HG13 ' A' ' 117' ' ' ILE . . . -151.55 166.61 30.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.41 ' CG2' HG23 ' A' ' 116' ' ' ILE . 0.7 OUTLIER -153.2 159.07 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.41 ' N ' HG11 ' A' ' 110' ' ' VAL . 21.3 p -112.49 -24.39 9.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -144.82 -52.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER 159.48 -26.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.95 -63.74 1.72 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.096 . . . . 0.0 110.955 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.75 127.71 33.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 0.736 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 117' ' ' ILE . 0.8 OUTLIER -118.59 169.66 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.281 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.415 ' N ' HD11 ' A' ' 116' ' ' ILE . 2.6 pp -132.55 140.57 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.592 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -126.38 153.14 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -169.12 116.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.559 HD13 ' CZ ' ' A' ' 106' ' ' PHE . 3.1 mp -81.12 51.2 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 120' ' ' LEU . 10.6 t-20 61.41 141.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.3 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.15 . . . . 0.0 109.952 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.62 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.4 t -70.73 -53.77 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -175.29 68.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.465 ' CE ' HD12 ' A' ' 83' ' ' ILE . 9.3 tptt -84.93 -76.65 0.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -157.24 -82.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.9 mt -66.35 -8.35 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.97 -36.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -57.19 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -26.34 47.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.445 ' CD2' ' HA ' ' A' ' 80' ' ' HIS . 6.9 mp -77.91 -44.55 26.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -56.35 -30.86 63.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.393 1.058 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 3.6 m -77.01 -27.98 54.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.69 156.87 18.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' C ' ' N ' ' A' ' 21' ' ' ASN . 2.5 ptt180 -176.45 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.42 ' C ' ' N ' ' A' ' 22' ' ' VAL . 1.6 tp60 47.18 22.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' ARG . 6.4 m120 46.74 23.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.42 ' N ' ' C ' ' A' ' 20' ' ' GLN . 3.8 t -117.35 -20.38 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.49 ' CB ' ' NE2' ' A' ' 80' ' ' HIS . 21.7 m -146.89 16.49 1.23 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.565 1.166 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.99 59.31 0.36 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.3 mt -72.11 -32.55 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.62 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -73.42 -40.74 64.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -49.94 57.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -57.03 14.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.483 ' CD1' ' HB3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.09 -57.37 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -51.26 -34.57 33.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.97 -22.52 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.514 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -68.16 -41.03 82.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.514 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.4 t -49.33 -43.16 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.5 mt -38.97 -55.28 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.61 53.17 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.8 p -86.08 144.94 39.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 150.96 39.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.458 ' C ' ' CD ' ' A' ' 51' ' ' ARG . 52.5 t -151.95 156.93 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.532 ' N ' ' CD ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -153.74 141.45 20.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.555 ' HB ' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -158.52 149.24 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.25 147.54 25.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.177 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.6 t -112.08 130.3 55.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 108.316 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mmm-85 -119.77 -173.46 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.8 128.72 24.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.68 -32.11 24.22 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.576 1.173 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.33 -16.87 50.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.787 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.425 ' O ' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -116.35 8.34 14.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.374 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 64' ' ' ILE . 7.2 tp -54.0 -42.27 68.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -54.1 -49.35 69.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 2.6 tt0 -73.53 -41.3 63.21 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -28.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.513 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 10.0 mt -62.03 -51.97 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.428 1.08 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.522 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -60.4 -33.98 73.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.522 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.3 mmt180 -73.39 -34.86 65.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.247 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.555 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 6.2 mt -60.72 -48.95 79.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.633 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -45.26 -50.98 11.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.86 -23.61 45.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.3 mm-40 -89.72 -42.24 11.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 75' ' ' GLY . 68.5 m -91.91 -62.79 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.633 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.3 t30 -39.72 -36.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -51.51 66.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.6 pt-20 -96.84 5.92 49.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.73 -169.58 12.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 4.0 mm -93.04 163.04 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.488 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -54.66 99.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.57 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.605 ' CG1' ' CD2' ' A' ' 80' ' ' HIS . 75.7 t -134.77 134.82 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.1 pt -108.19 48.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.605 ' CD2' ' CG1' ' A' ' 78' ' ' VAL . 6.8 m-70 -87.43 167.62 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.627 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.41 ' CG ' HD22 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -122.66 166.11 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t -54.98 -28.69 53.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.465 HD12 ' CE ' ' A' ' 9' ' ' LYS . 18.5 mt -69.52 -44.84 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.459 HG22 ' CD1' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -76.46 -33.19 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 80' ' ' HIS . 5.7 mp -60.16 -40.83 91.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.8 96.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -71.22 -51.16 26.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.069 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.534 ' CD2' ' CD2' ' A' ' 80' ' ' HIS . 5.4 mp -58.17 -49.25 77.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 93' ' ' ALA . 71.6 mt -61.85 -49.26 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.1 -35.88 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -74.6 -43.65 54.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -85.21 0.78 50.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -177.8 80.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 t -78.97 3.21 17.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.189 . . . . 0.0 110.035 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -87.1 -78.81 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.476 ' CB ' HG22 ' A' ' 116' ' ' ILE . 1.0 OUTLIER -106.14 110.7 23.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.422 1.076 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -116.03 172.48 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 99' ' ' HIS . 2.9 p -95.37 140.42 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.427 ' N ' HG23 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -106.21 -171.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.572 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -146.34 118.41 8.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.31 149.56 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.0 t -127.48 65.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.9 -43.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.0 t -129.99 176.31 8.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -101.66 136.5 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.383 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.569 ' CE1' HD13 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -148.61 135.21 19.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 60.2 mt-10 -104.65 145.08 30.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.461 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -139.4 140.91 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.08 165.05 33.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 111' ' ' THR . 0.5 OUTLIER -144.76 166.34 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.42 ' N ' HG13 ' A' ' 110' ' ' VAL . 82.7 p -114.93 -26.99 7.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.76 -50.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.329 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.494 ' OD1' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 159.26 -24.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.33 -75.23 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -78.71 153.04 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 0.713 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.476 HG22 ' CB ' ' A' ' 96' ' ' ARG . 1.2 pp -135.36 167.1 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 1.9 pp -132.48 140.33 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.552 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 15.0 p -133.69 154.44 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 118' ' ' VAL . 2.6 t70 -173.33 124.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 106' ' ' PHE . 3.4 mp -81.43 51.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.9 t30 61.38 140.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.578 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLN . 80.8 p -71.59 61.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.472 ' HA ' ' CB ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER 38.37 52.69 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -69.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -136.75 -89.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.8 mt -75.43 -0.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 8' ' ' GLN . . . -44.4 -38.79 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -57.68 10.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 18' ' ' THR . 0.3 OUTLIER -55.17 -34.74 64.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -61.9 -53.79 50.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.064 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -52.68 -35.87 56.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 m -77.64 -27.33 51.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 110.44 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -84.35 174.99 9.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.498 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 168.89 -43.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.417 ' C ' ' N ' ' A' ' 22' ' ' VAL . 0.7 OUTLIER 41.92 33.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 48.25 23.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.555 ' O ' ' CB ' ' A' ' 23' ' ' SER . 33.2 t -93.67 61.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 1.5 t 89.37 -38.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 34.53 52.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.3 mt -49.11 -23.86 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.578 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 18.4 mp0 -72.96 -57.89 3.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -62.76 -34.18 76.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -65.56 -62.84 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.445 ' CD2' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.413 ' N ' HD21 ' A' ' 40' ' ' LEU . 22.6 t70 -73.94 -54.72 7.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -47.74 -39.87 18.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -78.26 -35.02 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG3' ' CG ' ' A' ' 92' ' ' LYS . 1.5 ttmt -52.67 -34.3 51.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' LEU . 46.6 t -48.87 -47.21 43.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.7 mt -39.7 -58.14 1.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 60.6 55.82 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.6 p -90.05 146.54 35.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.929 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.62 35.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.5 t -148.22 161.5 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -158.47 141.69 14.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.473 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -163.02 148.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.371 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.58 148.2 24.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.6 t -108.83 127.28 53.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 108.258 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.3 -173.63 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.23 128.35 24.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.36 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.68 -34.57 21.32 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -57.51 -20.22 29.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.404 ' O ' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -114.45 8.23 16.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.115 . . . . 0.0 110.439 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' O ' HG13 ' A' ' 64' ' ' ILE . 9.9 tp -52.41 -41.09 62.9 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -58.0 -47.69 82.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 4.1 tt0 -73.78 -41.53 62.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -26.41 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.491 HD12 ' CB ' ' A' ' 81' ' ' ASP . 12.8 mt -64.97 -48.97 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.545 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -62.35 -34.1 76.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.545 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 8.9 mmt180 -75.49 -35.42 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD1' ' HB ' ' A' ' 52' ' ' ILE . 0.7 OUTLIER -71.28 -42.55 68.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -46.43 -44.43 17.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.25 -26.29 27.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 67' ' ' LEU . 8.1 mm-40 -94.57 -41.75 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -83.8 -66.27 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.5 t30 -40.43 -28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.412 1.07 . . . . 0.0 109.222 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -70.53 -52.8 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 71' ' ' SER . 69.5 mm-40 -73.31 -34.62 65.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 72' ' ' ASN . . . -103.18 -168.2 25.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 7.4 mm -91.8 162.34 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.465 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 3.8 t-160 -49.69 99.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.583 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.662 ' CG1' ' CD2' ' A' ' 80' ' ' HIS . 25.4 t -130.74 144.65 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.525 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -112.32 50.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.662 ' CD2' ' CG1' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -86.65 138.61 31.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.522 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.491 ' CB ' HD12 ' A' ' 64' ' ' ILE . 71.1 m-20 -88.63 162.68 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -27.75 38.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.8 mt -75.73 -35.69 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.493 HG21 ' CB ' ' A' ' 80' ' ' HIS . 1.0 OUTLIER -80.06 -33.95 38.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.426 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.535 HD11 ' CG ' ' A' ' 80' ' ' HIS . 4.0 mp -56.27 -43.37 78.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.52 97.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -71.7 -52.77 16.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.407 HD22 ' CG2' ' A' ' 84' ' ' THR . 4.7 mp -59.11 -36.58 75.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 93' ' ' ALA . 72.1 mt -73.4 -46.31 49.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 94' ' ' SER . 4.1 mtt180 -41.66 -41.27 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -40.94 96.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.19 0.79 56.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -175.77 81.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.373 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 90' ' ' ARG . 59.9 p -78.14 0.39 25.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -91.25 -80.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.594 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.439 ' CB ' HG23 ' A' ' 116' ' ' ILE . 9.4 mtt180 -100.42 109.87 22.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 110.221 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -117.36 171.78 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.4 p -95.66 122.71 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -84.92 175.24 9.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.574 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.09 100.49 3.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.147 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.1 p -106.73 149.54 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.5 p -123.84 86.37 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.25 -37.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.13 176.46 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -103.89 134.91 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.549 ' CE2' HD21 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -149.42 136.09 19.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 111.059 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.531 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 13.2 mt-10 -103.1 146.6 28.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' A' ' 117' ' ' ILE . 0.1 OUTLIER -138.67 143.02 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -152.23 163.08 30.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.488 HG21 ' CB ' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -153.19 162.09 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 0.769 . . . . 0.0 109.358 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 80.6 p -112.82 -25.86 8.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -147.23 -52.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.2 OUTLIER 163.04 -27.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.91 -73.68 1.02 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -78.77 136.64 37.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 0.778 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.488 ' CB ' HG21 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -131.35 171.51 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 1.0 OUTLIER -133.29 146.73 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.531 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.26 153.63 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -173.99 122.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.597 ' O ' ' CG ' ' A' ' 121' ' ' ASN . 4.7 mp -82.54 50.6 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.597 ' CG ' ' O ' ' A' ' 120' ' ' LEU . 6.8 p30 56.91 143.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.618 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 p -83.94 -44.81 13.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 176.62 64.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -76.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -158.17 -78.3 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' ALA . 13.7 mt -66.37 -7.0 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.99 -37.95 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 11.6 ptp180 -57.15 -53.83 53.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 13' ' ' ARG . 2.6 tt0 -59.62 -30.1 68.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.29 -49.86 45.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -54.74 -34.74 62.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.8 m -78.83 -27.97 44.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -68.68 -170.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.531 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER 84.88 122.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.9 56.45 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.39 1.056 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 72.73 20.95 3.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.518 ' CG1' ' N ' ' A' ' 23' ' ' SER . 3.1 p -93.18 -146.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.359 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.518 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 9.0 p -49.12 -61.08 2.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 37.78 55.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 96.7 mt -51.8 -27.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.386 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.618 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 14.4 pt-20 -72.95 -50.68 22.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 19' ' ' ARG . 2.3 ttt85 -60.89 -43.44 98.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -60.39 3.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.6 1.187 . . . . 0.0 109.328 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.426 ' CD2' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.456 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 18.9 t70 -66.88 -57.0 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -52.98 -31.92 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -81.15 -27.63 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.608 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -67.06 -35.04 78.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.608 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 34.6 t -56.95 -42.4 80.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.084 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -38.35 -49.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.472 ' CE ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER 67.81 62.51 0.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 p -101.22 129.93 26.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 151.28 39.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -152.31 145.45 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 131.72 26.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.429 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -151.51 147.58 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.5 148.66 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.3 t -112.66 126.34 55.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.64 1.213 . . . . 0.0 108.307 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.61 -173.48 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -52.21 127.07 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.464 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -47.54 -25.21 3.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.92 -35.34 79.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.406 ' O ' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -100.11 8.46 43.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.369 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.453 HD13 ' CG ' ' A' ' 100' ' ' ARG . 10.0 tp -50.06 -40.42 45.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -58.17 -49.67 76.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -72.42 -41.2 66.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.451 HD13 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -54.99 -31.54 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.222 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.461 HD13 ' CB ' ' A' ' 81' ' ' ASP . 11.8 mt -63.08 -44.83 99.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.635 1.209 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -40.71 95.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -72.16 -35.1 68.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -64.29 -50.37 68.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -47.88 -44.24 29.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.07 -24.13 57.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.366 1.042 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' LEU . 5.8 mm-40 -93.09 -40.62 10.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' GLY . 65.7 m -87.61 -65.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.5 t30 -39.21 -35.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -52.42 65.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.216 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' SER . 15.8 pt-20 -93.76 6.42 48.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -127.0 -173.28 13.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.8 tp -92.42 162.75 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -47.55 99.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.98 138.45 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.0 pt -125.94 50.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -87.64 164.41 16.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.634 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.461 ' CB ' HD13 ' A' ' 64' ' ' ILE . 96.6 m-20 -98.06 172.82 7.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -29.3 66.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.425 HD11 ' NH2' ' A' ' 100' ' ' ARG . 8.6 mt -74.85 -33.69 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.418 HG21 ' CD1' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -74.98 -36.51 62.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.482 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 6.0 mp -58.4 -40.7 83.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.0 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.14 -51.09 26.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.462 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 5.6 mp -59.04 -49.84 76.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.62 ' O ' ' N ' ' A' ' 93' ' ' ALA . 54.4 mt -61.5 -51.62 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -38.47 -34.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -48.21 63.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -90.18 1.69 56.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.62 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -163.52 75.16 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.9 p -81.38 6.48 14.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.52 1.138 . . . . 0.0 110.048 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -95.27 -79.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.607 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.48 112.25 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -115.73 171.98 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.3 p -88.48 132.93 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -89.84 167.09 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.53 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.453 ' CG ' HD13 ' A' ' 60' ' ' LEU . 7.5 tmm_? -141.88 100.67 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.3 p -109.43 149.6 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.465 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 8.4 p -123.06 84.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -176.7 -38.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.23 176.55 8.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -103.06 136.98 41.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CZ ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.73 138.07 17.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.563 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 44.8 mt-10 -103.64 146.62 28.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 117' ' ' ILE . 0.1 OUTLIER -138.01 141.03 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.617 1.198 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.31 162.67 29.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.456 ' CG2' HG23 ' A' ' 116' ' ' ILE . 0.6 OUTLIER -148.87 161.4 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.9 p -115.13 -23.26 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 110.355 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.14 -50.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 3.8 m-20 158.04 -23.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.38 -72.43 1.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -80.04 139.3 36.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.456 HG23 ' CG2' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -128.22 168.12 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 1.0 OUTLIER -132.3 140.95 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.563 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -130.06 153.84 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -172.11 121.15 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.565 HD12 ' CZ ' ' A' ' 106' ' ' PHE . 4.8 mp -81.73 51.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.1 t-20 61.37 138.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.611 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -60.9 2.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -170.12 58.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -75.74 -78.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -148.49 -82.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.419 HG23 ' CD1' ' A' ' 15' ' ' LEU . 12.3 mt -75.55 -0.13 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.25 -45.86 17.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -48.88 65.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.51 -26.67 68.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.448 ' N ' HD13 ' A' ' 15' ' ' LEU . 10.1 mp -81.08 -25.62 36.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.46 -42.21 65.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 t -71.0 -27.74 63.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.35 160.95 31.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.496 ' NH2' ' CB ' ' A' ' 27' ' ' ARG . 1.5 ttm-85 179.25 -59.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 22' ' ' VAL . 42.0 tp60 46.81 35.21 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 52.52 21.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 20' ' ' GLN . 87.8 t -71.74 -110.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.448 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 21.6 p -84.1 -40.3 18.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.497 ' O ' ' CG ' ' A' ' 28' ' ' LYS . . . 39.09 48.95 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 56.5 mt -74.23 -22.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.611 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 2.6 tt0 -74.0 -53.47 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.496 ' CB ' ' NH2' ' A' ' 19' ' ' ARG . 3.2 mmt180 -67.35 -45.79 75.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 10.6 mmtt -59.4 -57.96 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' CD2' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.424 ' N ' HD23 ' A' ' 40' ' ' LEU . 23.2 t70 -63.47 -52.07 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 1.3 t80 -61.54 -30.08 70.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.1 t -80.65 -22.26 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.495 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -75.86 -41.42 52.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 33.3 t -60.4 -32.71 71.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.3 mt -38.06 -51.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.421 ' HD3' ' NH2' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 70.84 67.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.1 m -118.57 134.21 23.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.068 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.46 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 18.0 Cg_endo -75.0 156.03 42.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 49' ' ' PRO . 85.3 t -155.55 159.73 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -156.62 139.63 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.247 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.542 ' CG2' HD21 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -163.77 148.6 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 tt -99.88 141.21 33.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.413 ' SG ' ' CD1' ' A' ' 60' ' ' LEU . 10.9 t -114.06 139.38 49.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -119.56 -171.76 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 110.253 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -50.47 138.2 17.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.17 -21.29 1.74 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.447 1.092 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 59' ' ' THR . 2.4 t0 -66.57 -78.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.461 ' N ' ' OD2' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -60.19 -7.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.445 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' CD1' ' SG ' ' A' ' 54' ' ' CYS . 4.8 tp -47.85 -41.02 23.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.443 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 8.3 p-10 -53.96 -50.04 67.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.14 -35.37 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.44 ' CD1' HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -62.87 -24.1 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.237 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 61' ' ' ASP . 6.3 mt -64.65 -47.93 86.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 4.1 pttt -67.23 -33.87 76.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.513 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 4.3 mtp180 -74.33 -34.9 63.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.542 HD21 ' CG2' ' A' ' 52' ' ' ILE . 29.3 mt -71.63 -44.26 64.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -46.97 -44.61 20.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.58 -24.44 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.3 mm-40 -93.3 -42.37 9.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -85.74 -66.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.0 t30 -40.12 -30.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -58.32 -54.58 45.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -83.43 3.69 30.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.53 -173.2 13.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.413 1.071 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 6.2 mm -91.64 163.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.496 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 36.3 t-80 -48.8 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.633 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.584 HG13 ' CD2' ' A' ' 80' ' ' HIS . 12.7 t -135.66 144.54 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 pt -118.06 51.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.584 ' CD2' HG13 ' A' ' 78' ' ' VAL . 4.8 m-70 -87.23 166.77 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.63 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -117.13 163.29 16.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 m -58.54 -32.34 68.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.401 ' CG1' HD22 ' A' ' 60' ' ' LEU . 4.4 mt -69.87 -39.97 78.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.436 HG23 ' CD2' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -73.66 -35.12 65.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.368 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.431 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 5.4 mp -60.07 -37.93 81.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.0 86.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -50.09 36.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.436 ' CD2' HG23 ' A' ' 84' ' ' THR . 4.2 mp -56.63 -50.34 72.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.612 ' O ' ' N ' ' A' ' 93' ' ' ALA . 67.7 mt -60.45 -51.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.02 -34.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -46.9 64.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -90.0 0.63 57.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -167.15 77.62 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.1 t -80.3 5.08 15.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -88.29 -86.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.565 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.443 ' CB ' HG22 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -102.81 110.75 22.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 110.298 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -115.89 172.22 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.4 HG21 ' N ' ' A' ' 99' ' ' HIS . 2.1 p -94.8 146.76 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.4 ' N ' HG21 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -111.68 -170.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.612 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.4 121.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.3 p -129.8 148.61 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.413 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 12.9 p -96.45 84.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -162.46 -52.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 t -135.73 176.62 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -96.88 146.53 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CD1' ' HG ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.65 137.96 17.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.598 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 92.5 mt-10 -101.03 142.6 32.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.07 137.64 50.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.07 152.74 24.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.487 HG21 ' CG2' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -138.74 171.64 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.8 p -118.46 -28.74 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 110.479 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.69 -46.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 2.8 m-20 155.52 -21.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.48 -76.95 0.69 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.569 1.168 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 19.9 tt0 -78.63 153.51 31.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 110.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.487 ' CG2' HG21 ' A' ' 110' ' ' VAL . 2.8 pp -136.44 164.86 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.365 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.5 pt -134.48 140.49 45.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.598 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -132.67 153.62 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.234 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -172.15 120.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 106' ' ' PHE . 3.2 mp -82.07 51.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 4.4 t30 61.38 141.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.725 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' GLN . 10.5 t -76.93 71.68 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 12' ' ' ALA . 1.8 mt-30 38.76 67.19 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -83.23 -76.17 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.84 -81.88 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.422 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 7.2 mt -88.33 13.66 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 8' ' ' GLN . . . -49.63 -39.63 36.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -54.59 -58.4 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -24.42 65.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 18' ' ' THR . 10.5 mp -71.29 -59.84 2.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -50.39 -33.19 19.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.7 m -70.87 -27.47 63.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.453 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.446 ' C ' ' CG ' ' A' ' 19' ' ' ARG . 1.3 t -84.63 169.5 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.446 ' CG ' ' C ' ' A' ' 18' ' ' THR . 0.0 OUTLIER 164.2 -40.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.441 ' C ' ' N ' ' A' ' 22' ' ' VAL . 5.1 tp60 48.22 23.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.242 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 42.1 27.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 33.9 t -123.66 4.91 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -156.46 -88.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 39.82 62.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.481 ' CD1' ' HG ' ' A' ' 88' ' ' LEU . 40.3 mt -69.99 -23.47 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.725 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -73.79 -39.94 63.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.1 mmt-85 -70.58 -53.87 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -56.36 22.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.445 ' CD2' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' N ' HD23 ' A' ' 40' ' ' LEU . 9.1 t70 -66.46 -55.79 14.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -54.0 -35.35 61.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.26 -25.59 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -33.79 73.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' LEU . 46.6 t -59.29 -39.11 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.3 mt -39.42 -49.51 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.378 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 68.24 64.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.34 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.9 p -105.37 140.41 21.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.447 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 18.2 Cg_endo -74.99 160.28 40.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 110.993 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 49' ' ' PRO . 67.3 t -155.27 148.41 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttp85 -146.38 137.88 24.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.277 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.521 ' CG2' HD22 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -156.12 147.64 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' N ' HD21 ' A' ' 67' ' ' LEU . 9.0 tt -95.47 149.09 21.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.62 136.79 52.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 108.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.95 -172.94 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -51.36 131.14 28.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -50.48 -20.44 3.76 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.085 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -72.35 -35.86 68.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 0.784 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.479 ' O ' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -102.05 10.0 39.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.2 tp -56.0 -40.85 73.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 62' ' ' GLU . 8.5 p-10 -56.39 -49.45 74.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -72.18 -42.05 66.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.44 HG22 HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -55.62 -35.15 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 81' ' ' ASP . 0.6 OUTLIER -61.74 -38.75 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -43.32 95.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.09 -34.02 68.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.521 HD22 ' CG2' ' A' ' 52' ' ' ILE . 25.8 mt -67.75 -45.68 74.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -46.05 -45.37 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.415 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.5 mm-40 -55.38 -24.92 32.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 67' ' ' LEU . 8.8 mm-40 -94.25 -42.08 9.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.44 ' C ' ' N ' ' A' ' 73' ' ' LYS . 66.4 m -84.35 -67.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.913 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 68' ' ' LEU . 4.0 t30 -39.74 -30.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -63.27 -56.1 19.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' SER . 10.7 pt-20 -83.73 0.99 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.58 -169.37 12.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.5 tp -91.86 154.21 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -51.92 99.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.583 HG11 ' CD2' ' A' ' 80' ' ' HIS . 83.2 t -134.24 144.19 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.5 pt -113.38 51.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.679 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 4.5 m-70 -88.96 167.58 13.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.49 ' HA ' ' CG1' ' A' ' 64' ' ' ILE . 0.9 OUTLIER -115.21 170.07 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.415 ' CB ' HD12 ' A' ' 64' ' ' ILE . 4.5 m -63.98 -32.38 73.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.1 mt -68.85 -38.1 78.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.48 -33.48 42.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.529 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -58.36 -35.52 72.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.24 92.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -70.79 -50.1 39.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.679 ' CD2' ' CD2' ' A' ' 80' ' ' HIS . 2.4 mp -60.71 -44.27 96.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.529 ' CG1' ' O ' ' A' ' 85' ' ' LEU . 4.3 mm -65.84 -46.08 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.402 ' NH1' HD12 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -42.86 -35.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 92' ' ' LYS . 0.4 OUTLIER -72.19 -36.93 69.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ILE . 2.3 mmtt -88.95 -6.41 57.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -171.68 79.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 90' ' ' ARG . 83.7 p -73.1 -2.59 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -85.67 -75.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.615 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.438 ' CB ' HG22 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -106.88 116.43 31.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.604 1.19 . . . . 0.0 110.261 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.402 HD12 ' NH1' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -119.4 172.32 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.601 1.188 . . . . 0.0 109.271 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.5 p -86.42 149.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -152.83 166.44 32.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.461 ' NE ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -173.32 157.38 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 0.0 110.299 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.7 p -125.38 150.45 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.501 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 9.9 p -87.71 88.68 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.2 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.66 176.37 8.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -96.12 162.82 13.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -178.31 135.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.546 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 16.2 mt-10 -105.9 151.87 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.526 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -141.05 143.19 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -160.17 166.03 35.03 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 0.0 110.949 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.481 HG23 ' CG2' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -147.5 169.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.584 0.814 . . . . 0.0 109.334 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.2 p -115.51 -24.61 8.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -155.25 -45.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 158.03 -23.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.84 -71.88 1.24 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.453 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.3 OUTLIER -77.85 141.46 39.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 0.803 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.481 ' CG2' HG23 ' A' ' 110' ' ' VAL . 1.8 pp -128.84 161.7 37.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 2.7 pp -132.76 140.94 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -137.76 152.81 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.246 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.511 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 6.5 t0 -175.42 121.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 106' ' ' PHE . 2.2 pt? -97.42 39.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.37 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 120' ' ' LEU . 11.4 t-20 61.35 141.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.002 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.694 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 m -139.13 -51.88 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 0.0 109.963 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -139.8 49.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.474 ' CG ' HG21 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -79.27 -81.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -163.74 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.1 mt -82.78 11.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.16 -32.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -57.8 11.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -24.04 64.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.449 ' CD1' ' OD1' ' A' ' 81' ' ' ASP . 4.6 mp -74.23 -56.8 4.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -52.48 -29.11 23.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.466 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 10.3 m -81.87 -27.47 33.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.4 t -73.06 -174.4 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER 85.35 120.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.48 62.47 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.62 24.96 6.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.545 ' CG1' ' N ' ' A' ' 23' ' ' SER . 4.1 p -94.79 -143.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.545 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -41.68 -58.42 1.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.026 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 37.08 56.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.449 ' CG2' ' HG3' ' A' ' 91' ' ' GLU . 23.2 mt -65.02 -28.95 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.694 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -71.48 -40.56 70.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -44.57 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -61.84 2.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.316 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 91' ' ' GLU . 2.5 pt? . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.88 -57.12 9.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -52.5 -32.7 41.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.604 1.19 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -82.41 -23.36 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -69.07 -43.1 75.28 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 28.4 t -49.75 -42.21 45.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -38.11 -54.71 1.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 mttt 65.62 60.63 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.3 p -94.89 135.71 23.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.402 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 18.5 Cg_endo -75.04 151.08 38.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.403 HG11 ' N ' ' A' ' 51' ' ' ARG . 58.9 t -153.57 145.95 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.403 ' N ' HG11 ' A' ' 50' ' ' VAL . 28.9 ttt-85 -143.78 134.42 24.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.544 ' HB ' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -154.02 149.7 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.83 144.27 29.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.1 t -108.86 127.86 54.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 108.308 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.42 -173.77 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -52.51 128.2 25.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.239 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.409 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -50.26 -29.94 16.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.45 1.094 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.73 -21.04 60.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -113.17 6.94 17.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.431 ' CD1' ' HG3' ' A' ' 100' ' ' ARG . 7.4 tp -50.39 -41.79 52.52 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.57 1.169 . . . . 0.0 109.228 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.442 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -55.15 -49.99 70.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.441 1.088 . . . . 0.0 109.235 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.66 -37.62 65.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.482 HG23 ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -61.0 -25.3 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 61' ' ' ASP . 8.5 mt -63.62 -50.4 78.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 5.2 ptpt -64.71 -33.46 76.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 4.5 mmt85 -73.83 -34.34 64.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.266 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.544 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 23.9 mt -66.79 -50.5 62.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -46.92 -45.97 20.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.64 -23.47 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.1 mm-40 -92.65 -40.3 10.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 74' ' ' GLU . 11.5 m -89.18 -64.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 68' ' ' LEU . 13.5 t30 -38.8 -34.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -53.64 55.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' SER . 4.9 pt-20 -90.74 5.46 48.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 1.186 . . . . 0.0 110.354 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.33 -172.44 13.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.589 1.18 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.41 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 9.8 tp -91.87 161.01 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.39 98.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.588 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.452 HG11 ' CD2' ' A' ' 80' ' ' HIS . 2.3 t -135.37 136.77 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.491 ' CG1' ' OG1' ' A' ' 18' ' ' THR . 5.2 pt -121.34 45.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.452 ' CD2' HG11 ' A' ' 78' ' ' VAL . 77.6 m-70 -88.38 166.25 14.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.618 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.449 ' OD1' ' CD1' ' A' ' 15' ' ' LEU . 12.4 m-20 -104.58 168.37 9.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 109.334 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p -63.19 -29.6 70.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.066 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.474 HG21 ' CG ' ' A' ' 9' ' ' LYS . 11.4 mt -72.74 -40.65 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.416 HG21 ' CD1' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -71.52 -34.85 70.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.348 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.451 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 4.0 mp -60.17 -40.63 90.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.31 -44.0 92.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.35 -49.7 39.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.439 ' CD1' ' NE1' ' A' ' 6' ' ' TRP . 6.5 mp -59.48 -49.82 76.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' A' ' 93' ' ' ALA . 73.8 mt -62.5 -51.45 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.178 . . . . 0.0 109.387 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 89' ' ' ILE . 6.7 mtm180 -37.65 -34.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -68.81 -48.14 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.275 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 89' ' ' ILE . 1.2 ptmt -91.11 1.08 57.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.627 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -160.57 73.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.0 p -79.58 3.29 19.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -91.66 -88.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.135 . . . . 0.0 109.575 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 114' ' ' GLY . 6.8 mtp180 -98.85 110.54 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -117.84 172.09 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.6 p -95.4 129.53 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -88.37 -174.84 4.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.637 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.431 ' HG3' ' CD1' ' A' ' 60' ' ' LEU . 7.3 tmm_? -152.4 100.68 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.4 p -105.71 149.63 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.409 ' CG2' ' N ' ' A' ' 57' ' ' GLY . 14.7 p -125.11 87.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.98 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 t -135.39 176.63 8.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.952 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -98.6 138.58 35.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.554 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -153.86 137.66 16.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.561 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 48.9 mt-10 -104.78 146.14 29.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.466 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -140.47 140.2 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.04 167.0 33.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.478 HG21 ' CG2' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -147.26 168.16 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.8 p -116.77 -26.72 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.447 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.41 -49.47 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.234 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 157.25 -22.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.51 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -76.07 -72.55 1.07 Allowed Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.47 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 19.4 tp10 -78.81 154.8 29.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 0.73 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.478 ' CG2' HG21 ' A' ' 110' ' ' VAL . 2.2 pp -136.85 162.04 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.5 140.3 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.238 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.561 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.83 153.69 30.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -172.85 124.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.554 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.6 mp -84.21 50.22 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 3.9 t-20 61.21 141.56 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.956 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.604 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 t 55.93 -84.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.068 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' TRP . 0.5 OUTLIER -160.76 69.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 tptt -83.58 -80.35 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -139.8 -76.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.4 mt -77.66 1.53 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.39 -35.27 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -56.43 21.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.328 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -30.67 62.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' N ' HD13 ' A' ' 15' ' ' LEU . 11.1 mp -71.63 -48.39 48.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -34.01 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.0 m -74.84 -28.73 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.14 134.46 36.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 173.72 60.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -69.23 60.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.4 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 11.9 t30 44.46 28.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 23' ' ' SER . 1.9 t -165.12 124.23 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER 83.53 2.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.55 59.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.449 ' CD1' ' HG ' ' A' ' 88' ' ' LEU . 6.1 mt -65.52 -27.15 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.604 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 59.5 mt-10 -71.56 -48.51 48.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -51.34 51.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -51.67 59.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.46 HD22 ' CB ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.94 -56.43 9.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -52.78 -31.42 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -83.11 -26.63 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -65.18 -44.38 88.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 109.218 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.4 t -47.1 -45.63 22.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -39.05 -55.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.36 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 61.03 54.13 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -91.21 150.87 42.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.057 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.407 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 18.3 Cg_endo -75.01 147.69 34.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 49' ' ' PRO . 60.2 t -153.67 160.76 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -160.72 134.07 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.514 ' CG2' HD22 ' A' ' 67' ' ' LEU . 1.1 pt -154.0 148.05 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 106' ' ' PHE . 2.0 tp -100.15 148.17 24.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.4 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 2.4 t -107.79 130.21 54.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 108.265 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.426 ' HG3' ' CG1' ' A' ' 63' ' ' ILE . 3.8 mmm180 -113.87 -173.19 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -52.1 128.41 24.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.78 -26.31 32.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.06 -29.97 70.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 0.731 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.54 7.57 32.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 64' ' ' ILE . 11.5 tp -49.33 -41.18 37.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 6.9 p-10 -55.17 -49.48 71.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.39 -38.79 63.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.224 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.426 ' CG1' ' HG3' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -59.35 -26.02 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 61' ' ' ASP . 9.1 mt -63.48 -49.28 83.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -66.08 -33.63 76.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.468 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -73.43 -34.95 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.376 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.514 HD22 ' CG2' ' A' ' 52' ' ' ILE . 8.9 mt -68.89 -49.01 61.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -47.58 -44.49 26.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.22 -24.6 28.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -93.86 -41.16 9.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' GLU . 69.9 m -86.08 -67.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.042 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.3 t30 -39.82 -30.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.54 -53.64 55.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.9 pp20? -91.45 6.9 43.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.4 -169.61 12.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.4 tp -91.8 163.49 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.561 0.801 . . . . 0.0 109.278 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.68 99.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.647 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.93 138.99 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 pt -114.64 48.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.629 1.206 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.562 ' CE1' ' CD2' ' A' ' 88' ' ' LEU . 63.1 m170 -87.49 167.16 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.64 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -110.91 172.09 7.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -66.61 -31.58 72.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.9 mt -71.12 -35.3 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.64 -33.71 53.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.434 ' O ' ' HB ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -59.22 -40.3 85.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.53 98.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -51.97 21.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.562 ' CD2' ' CE1' ' A' ' 80' ' ' HIS . 4.1 mp -57.86 -50.28 73.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.611 ' O ' ' N ' ' A' ' 93' ' ' ALA . 97.6 mt -62.47 -48.94 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.386 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 -39.3 -35.48 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.01 -43.71 52.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -85.46 -1.4 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.611 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -179.14 84.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.3 t -69.33 -6.99 33.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -71.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.632 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.445 ' HG3' ' CB ' ' A' ' 93' ' ' ALA . 0.1 OUTLIER -78.72 104.57 9.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.7 mt -128.64 162.1 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.03 116.16 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -83.37 -174.06 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.567 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.42 109.58 1.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.247 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.7 p -107.2 149.45 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 11.8 p -119.59 86.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -176.65 -42.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 t -135.89 176.71 8.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.78 142.57 27.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.513 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 7.7 t80 -141.04 166.13 25.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.697 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -137.16 143.54 42.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.6 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -148.76 134.28 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.94 163.88 36.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -141.98 171.61 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.405 ' N ' HG11 ' A' ' 110' ' ' VAL . 49.4 p -117.66 -29.58 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.95 -47.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.6 OUTLIER 157.62 -21.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.87 -71.74 1.17 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.3 pt-20 -77.86 154.83 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.617 0.834 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.408 ' HA ' HG23 ' A' ' 110' ' ' VAL . 2.6 pp -139.08 159.5 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 18.0 pt -129.75 140.59 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.697 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -146.34 153.95 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.439 ' O ' ' HA ' ' A' ' 106' ' ' PHE . 1.8 t70 -161.22 176.08 11.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 121' ' ' ASN . 0.1 OUTLIER -113.0 1.63 15.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 120' ' ' LEU . 28.2 t-20 37.91 44.27 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.633 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.59 -47.03 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.48 51.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -71.56 -77.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' CE ' ' HB3' ' A' ' 61' ' ' ASP . 3.9 ttmm -151.23 -86.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' ALA . 7.6 mt -76.66 6.27 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.81 -34.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 11' ' ' ILE . 1.9 mmm180 -58.3 -57.49 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -59.11 -25.8 64.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.484 ' O ' ' CG2' ' A' ' 18' ' ' THR . 7.9 mp -72.19 -54.72 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 tptm -53.02 -32.13 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -71.29 -27.43 63.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.546 ' CG2' ' N ' ' A' ' 19' ' ' ARG . 4.3 t -80.66 -150.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.546 ' N ' ' CG2' ' A' ' 18' ' ' THR . 0.8 OUTLIER 79.92 49.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -66.94 70.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' ARG . 12.9 t30 51.58 31.72 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 23' ' ' SER . 2.2 t -156.28 122.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.243 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 3.4 p 83.49 15.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.014 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.509 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . . . -77.81 63.75 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.428 HD11 ' CA ' ' A' ' 88' ' ' LEU . 52.4 mt -78.68 -14.08 13.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.633 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 4.0 pm0 -76.65 -44.39 34.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.324 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.434 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -79.14 -37.63 38.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -52.98 43.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 25' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -74.0 -55.01 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.399 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -47.4 -35.8 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.505 ' CG2' HD11 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -81.21 -37.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -49.59 -40.06 37.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 31.7 t -55.41 -18.14 6.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.536 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 8.5 mt -41.86 -34.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 46' ' ' LEU . 9.8 ttpt 90.51 77.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 109.355 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.58 110.2 37.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.968 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 151.59 39.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.7 t -153.14 161.14 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -161.02 135.31 7.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.523 ' HB ' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -154.95 148.59 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.51 147.08 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.3 t -107.52 135.0 49.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.313 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -117.87 -174.47 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.416 ' CG ' ' HB ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -53.7 127.32 25.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.51 -31.24 14.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.85 -23.77 61.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.416 ' HB ' ' CG ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -111.55 8.04 20.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 tp -49.53 -41.21 40.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' HB3' ' CE ' ' A' ' 10' ' ' LYS . 8.2 p-10 -56.21 -50.24 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -41.19 65.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.373 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -31.24 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.3 mt -61.29 -47.51 93.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -61.1 -37.07 81.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.0 65.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.239 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.523 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 27.6 mt -63.44 -51.61 64.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -47.66 -47.02 29.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.412 ' N ' HD11 ' A' ' 68' ' ' LEU . 3.4 mm-40 -60.28 -22.1 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.6 mm-40 -93.32 -40.99 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 74' ' ' GLU . 12.7 m -88.9 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 68' ' ' LEU . 6.6 t-20 -39.51 -33.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.67 -51.17 68.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.5 pm0 -98.47 8.84 44.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.16 -169.79 12.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 7.2 mm -91.75 162.64 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 109.354 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.473 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -53.18 96.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.613 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.72 143.92 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.482 ' CG1' ' HB ' ' A' ' 18' ' ' THR . 4.9 pt -125.79 52.96 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 9.2 m-70 -86.92 167.42 14.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.612 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -107.45 163.7 12.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.9 t -59.27 -31.94 69.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.083 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.5 mt -70.83 -36.96 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.446 HG21 ' CD1' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -78.88 -29.94 44.7 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.431 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 6.1 mp -61.88 -41.58 98.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.31 97.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -71.38 -50.61 30.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.167 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.699 ' CD2' ' CD2' ' A' ' 80' ' ' HIS . 6.3 mp -58.85 -49.13 78.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 92' ' ' LYS . 79.4 mt -62.59 -49.55 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 94' ' ' SER . 7.1 mtp180 -38.95 -35.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -44.26 70.91 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.57 1.169 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -87.87 -0.39 56.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.302 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -175.65 80.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.38 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 90' ' ' ARG . 32.3 p -79.96 3.51 19.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.059 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -89.17 -81.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.545 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -99.17 104.63 16.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -115.46 171.52 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 p -95.38 147.47 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.358 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.34 -168.87 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.618 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 5.0 ppt_? -154.35 106.98 2.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 p -107.25 149.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.5 p -128.93 85.53 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.21 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.82 176.51 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.929 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.84 134.53 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.44 174.16 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 111.057 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 37.0 mt-10 -154.92 144.84 21.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.487 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.1 OUTLIER -141.06 144.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.76 166.21 33.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.078 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -151.97 170.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.507 0.769 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.3 p -115.5 -27.28 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -153.16 -44.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.464 ' OD1' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 159.04 -22.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.93 -75.52 0.95 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.438 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.0 OUTLIER -81.71 141.67 33.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 110.282 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.406 ' CB ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -133.75 170.84 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.8 pp -131.77 141.41 45.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 14.6 p -130.2 156.72 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -162.46 162.09 27.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.226 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -105.18 8.68 34.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 120' ' ' LEU . 26.2 t-20 39.3 43.77 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.977 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.639 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.11 76.3 9.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.155 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 38.66 60.89 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -74.44 -77.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -133.4 -92.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 12' ' ' ALA . 8.7 mt -76.0 3.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.73 -34.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -57.45 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -61.99 -22.82 65.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.185 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.51 ' CD1' ' OD2' ' A' ' 81' ' ' ASP . 10.4 mp -76.7 -40.69 47.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -65.55 -32.72 74.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -70.73 -28.49 64.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.414 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.609 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 3.0 t -82.65 -150.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.344 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.609 ' CG ' ' O ' ' A' ' 18' ' ' THR . 2.5 ptt180 92.34 -24.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 22' ' ' VAL . 1.4 tp60 35.01 46.68 0.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.7 m-20 36.28 32.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 3.0 t -116.22 0.88 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.7 t -148.97 -88.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.061 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 47.02 60.31 3.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 96.3 mt -65.67 -21.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.639 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -73.99 -39.86 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.178 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -54.6 11.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -56.77 -55.65 31.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.52 HD13 ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.52 ' N ' HD13 ' A' ' 40' ' ' LEU . 8.5 t70 -76.56 -57.91 3.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -51.88 -36.82 49.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.66 -30.73 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -50.71 -48.93 58.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -41.67 -30.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 mt -87.82 40.64 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -55.53 -54.16 47.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER 51.83 173.33 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 110.048 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.2 Cg_endo -75.02 117.68 4.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.44 146.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -160.5 135.45 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -142.95 147.64 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.6 tt -94.59 147.36 23.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.04 128.61 56.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 1.083 . . . . 0.0 108.287 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.57 -173.88 2.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.5 128.88 27.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.81 -25.38 7.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.095 . . . . 0.0 110.971 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.91 -26.35 65.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 0.811 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.461 ' O ' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -106.28 7.95 31.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 64' ' ' ILE . 7.1 tp -51.95 -42.79 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 2.9 p30 -54.5 -47.72 72.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -73.64 -40.78 63.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.431 HD13 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -60.15 -26.58 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.51 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 7.1 mt -62.35 -51.73 68.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -61.31 -34.37 75.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.512 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 5.9 mmt180 -72.79 -34.34 66.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.232 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -60.75 -50.8 72.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -46.61 -50.86 16.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -50.27 -24.41 2.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.28 -42.23 9.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -88.02 -65.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.026 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' A' ' 68' ' ' LEU . 1.8 t30 -39.49 -30.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.201 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -61.26 -55.18 34.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.7 pp20? -92.18 4.01 54.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -123.08 -173.07 13.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 9.0 tp -91.92 157.95 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.92 98.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.626 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.576 HG11 ' CD2' ' A' ' 80' ' ' HIS . 2.1 t -135.17 140.94 44.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.407 ' CG1' ' HB ' ' A' ' 18' ' ' THR . 23.6 pt -115.69 50.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.576 ' CD2' HG11 ' A' ' 78' ' ' VAL . 52.2 m170 -87.05 161.26 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.597 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.51 ' OD2' ' CD1' ' A' ' 15' ' ' LEU . 3.5 m-20 -111.89 162.52 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -33.1 68.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 39.6 mt -68.3 -40.65 82.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.421 HG23 ' CD2' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -77.94 -34.16 51.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.513 ' CD1' ' CB ' ' A' ' 80' ' ' HIS . 5.2 mp -59.77 -41.37 90.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.56 80.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -71.24 -50.69 30.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.432 ' CD1' ' NE1' ' A' ' 6' ' ' TRP . 6.3 mp -56.66 -37.41 70.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 93' ' ' ALA . 6.6 mm -73.46 -50.36 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -39.32 -35.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.438 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 1.8 mm-40 -69.03 -45.13 71.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.366 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.21 0.88 56.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -175.18 81.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.6 p -79.53 3.89 17.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -90.27 -86.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.666 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.429 ' CD ' HG21 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -93.19 104.15 16.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 110.265 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.4 mp -111.87 171.17 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.9 p -100.7 149.26 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -124.13 -171.81 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.603 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.409 ' NE ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -148.12 135.75 20.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.2 p -117.62 149.55 19.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 1.5 t -124.01 65.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.76 -43.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.163 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.7 t -132.85 176.35 8.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.52 135.17 33.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -131.67 170.36 14.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 45.8 mt-10 -152.17 142.61 22.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.526 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -142.39 141.04 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.419 ' N ' HD13 ' A' ' 117' ' ' ILE . . . -155.3 162.6 31.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.492 HG21 ' CG2' ' A' ' 116' ' ' ILE . 0.6 OUTLIER -153.29 160.76 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 78.9 p -113.79 -24.15 9.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.507 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -145.77 -52.01 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 2.0 t0 155.55 -23.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.357 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.9 -66.97 1.65 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.583 1.177 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.55 122.67 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.271 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.492 ' CG2' HG21 ' A' ' 110' ' ' VAL . 0.8 OUTLIER -116.76 169.12 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.419 HD13 ' N ' ' A' ' 109' ' ' GLY . 2.7 pp -132.16 141.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -131.19 153.87 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.73 166.85 26.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 121' ' ' ASN . 0.1 OUTLIER -112.93 3.55 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 120' ' ' LEU . 6.9 t-20 60.86 141.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.061 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.71 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.0 m -142.21 22.12 2.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.09 35.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -97.98 -89.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.95 -79.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mt -76.79 1.41 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.26 -35.28 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 -54.93 -57.36 11.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -57.89 -39.57 78.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.479 HD21 ' CG2' ' A' ' 84' ' ' THR . 0.2 OUTLIER -62.05 -41.42 98.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -58.89 -43.01 90.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -27.77 68.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -93.65 125.76 38.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.482 ' CB ' ' O ' ' A' ' 18' ' ' THR . 4.4 mtt180 159.09 50.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -69.4 58.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 75.8 m-20 57.07 28.06 14.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 39.2 t -98.68 9.83 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER 171.65 -64.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.987 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 39.54 57.56 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.503 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 94.7 mt -75.83 -27.52 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.71 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 1.9 pp20? -65.78 -46.59 78.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.429 ' CG ' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -71.93 -52.3 17.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -44.06 74.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.442 ' CD2' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.415 ' N ' HD21 ' A' ' 40' ' ' LEU . 7.5 t70 -66.86 -56.49 10.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -50.57 -34.71 26.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 111.052 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -83.04 -22.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -65.87 -41.59 91.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 46.6 t -45.73 -44.95 14.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -37.54 -49.3 1.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.4 mttt 67.55 64.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.67 137.35 32.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 138.84 23.61 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.58 149.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.69 131.74 18.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 110.341 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.441 ' CG2' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -153.85 148.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.403 ' O ' HD21 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -98.91 148.46 23.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.412 ' CB ' HD13 ' A' ' 108' ' ' ILE . 2.6 t -111.51 124.58 52.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 108.247 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -112.63 -172.79 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.7 128.44 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.427 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -48.89 -33.94 14.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.57 -35.02 73.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -98.41 7.68 45.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.396 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.18 -42.42 77.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.466 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 4.7 p-10 -53.77 -48.27 69.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.2 -39.98 62.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.87 -24.29 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.478 HD11 ' CB ' ' A' ' 81' ' ' ASP . 8.7 mt -64.38 -49.32 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.189 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER -65.72 -34.64 78.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.364 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 2.7 mmt180 -72.86 -35.19 67.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.441 HD22 ' CG2' ' A' ' 52' ' ' ILE . 1.1 mt -72.29 -44.39 62.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -47.22 -46.12 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.415 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.6 mt-10 -55.06 -23.66 21.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.1 mm-40 -93.29 -40.82 10.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 73' ' ' LYS . 54.7 m -89.46 -66.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.967 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -39.73 -29.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -56.88 -53.44 57.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.2 pp20? -86.01 3.86 40.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.61 -172.78 14.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -90.89 163.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.806 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.446 ' N ' HD12 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -53.76 97.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.585 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 80' ' ' HIS . 47.4 t -136.63 145.75 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.533 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -110.83 49.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.596 ' CD2' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -85.72 153.53 22.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.478 ' CB ' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -112.92 167.18 10.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.416 1.072 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 56.7 m -53.81 -25.81 21.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.029 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.8 mt -73.71 -45.1 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.479 ' CG2' HD21 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -78.48 -32.29 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.362 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.596 HD12 ' CD2' ' A' ' 80' ' ' HIS . 1.7 mp -57.72 -44.82 86.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.28 86.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CD1' ' NE1' ' A' ' 6' ' ' TRP . 0.3 OUTLIER -72.51 -50.27 27.05 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.558 1.161 . . . . 0.0 110.963 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.403 ' CD1' HG23 ' A' ' 84' ' ' THR . 6.7 mp -64.66 -37.16 86.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 92' ' ' LYS . 51.9 mt -71.77 -49.46 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 94' ' ' SER . 5.8 mtt180 -39.36 -39.96 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.456 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 2.6 mm-40 -63.93 -43.68 95.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ILE . 2.3 ptmt -88.59 -0.99 57.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -169.2 79.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' ARG . 11.5 p -76.67 -0.45 23.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -84.77 -94.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -95.18 114.02 25.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.255 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -119.33 172.6 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.37 131.2 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.409 ' CG ' ' H ' ' A' ' 100' ' ' ARG . 4.2 t-160 -102.6 -176.57 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.622 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -148.01 110.75 4.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.3 p -106.52 150.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.7 p -121.09 87.21 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.25 -42.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.5 p -135.57 176.33 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -95.48 134.04 38.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.234 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.554 ' CD2' HD23 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -145.28 134.98 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 43.8 mt-10 -106.69 144.62 33.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -136.59 137.42 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -150.89 150.33 22.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.462 ' CG2' HG23 ' A' ' 116' ' ' ILE . 0.8 OUTLIER -141.21 158.24 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.1 p -116.04 -21.32 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.349 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -142.41 -54.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 6.1 m-20 154.02 -23.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.18 -68.87 1.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.88 135.32 33.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 0.794 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.478 ' CD1' ' N ' ' A' ' 117' ' ' ILE . 0.6 OUTLIER -124.33 172.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.478 ' N ' ' CD1' ' A' ' 116' ' ' ILE . 1.5 pt -133.12 140.34 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.592 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 17.9 m -124.16 153.4 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -168.65 113.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.554 HD23 ' CD2' ' A' ' 106' ' ' PHE . 1.8 mp -82.84 50.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' LEU . 51.4 t-20 39.65 43.66 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.644 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.36 67.28 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 50.77 56.32 8.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.22 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -73.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -136.02 -85.56 0.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.6 mt -84.33 13.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.04 -32.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -57.21 -58.33 8.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.479 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 3.0 mt-10 -59.91 -28.55 67.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 18' ' ' THR . 7.2 mp -69.82 -47.09 64.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -57.57 -37.24 72.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 m -67.69 -28.83 68.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -88.94 127.09 35.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.364 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' ASN . 6.4 ttp-105 176.38 37.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.45 71.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' ARG . 51.4 m-80 53.48 32.81 14.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.546 ' CG1' ' N ' ' A' ' 23' ' ' SER . 2.6 p -94.77 -147.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.546 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 3.6 m -43.1 -55.45 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.445 ' HB2' ' CD ' ' A' ' 19' ' ' ARG . . . 38.27 44.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.459 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 98.0 mt -71.45 -20.25 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.644 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 11.0 pt-20 -73.15 -52.38 14.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.444 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -65.67 -45.7 81.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -60.39 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 ' CD2' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.409 ' N ' HD21 ' A' ' 40' ' ' LEU . 8.9 t70 -68.26 -56.26 9.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -52.11 -36.92 52.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -80.21 -24.45 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -36.62 82.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' LEU . 48.4 t -52.56 -43.37 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -38.28 -56.19 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER 66.37 61.61 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 m -103.65 141.25 22.11 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.481 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 18.2 Cg_endo -75.03 160.07 40.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 49' ' ' PRO . 70.1 t -156.09 160.0 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.206 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -155.62 130.3 9.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' A' ' 67' ' ' LEU . 4.9 pt -148.23 148.3 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.401 ' O ' HD21 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -102.57 142.74 33.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.1 t -109.63 134.42 51.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.241 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -118.32 -172.95 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -51.47 127.62 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.424 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -48.37 -29.93 7.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.12 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.31 -27.92 66.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 0.813 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.71 8.67 29.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.2 tp -50.4 -41.27 51.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -56.96 -49.68 74.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -72.53 -40.55 66.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.251 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.436 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.1 -33.16 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.2 mt -59.75 -45.42 94.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.62 -37.81 87.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -35.35 66.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 70' ' ' GLU . 11.3 mt -63.57 -51.33 65.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -47.71 -45.87 29.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.71 -23.4 51.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' LEU . 5.9 mm-40 -93.19 -41.24 10.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 74' ' ' GLU . 68.2 m -87.3 -65.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.951 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.5 t30 -39.19 -30.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -61.76 -53.82 50.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.6 pt-20 -95.22 7.72 45.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.81 -171.84 13.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.3 tp -91.53 163.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -54.09 98.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 109.67 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -134.73 137.96 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.302 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 14' ' ' GLU . 2.0 pt -116.08 48.57 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 28.5 m170 -86.99 167.1 14.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -108.84 173.18 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.3 m -69.29 -31.01 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.0 mt -74.67 -37.15 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.425 HG23 ' CD2' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -72.75 -39.01 67.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.499 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 3.6 mp -59.68 -41.15 90.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.548 ' CB ' ' NH2' ' A' ' 100' ' ' ARG . . . -60.01 -46.92 87.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.89 -50.85 21.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.513 ' CD1' ' NE1' ' A' ' 6' ' ' TRP . 6.0 mp -55.61 -52.32 64.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 93' ' ' ALA . 48.0 mt -61.51 -50.03 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.542 ' CG ' HG13 ' A' ' 97' ' ' ILE . 1.6 mtt85 -37.72 -34.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -46.91 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.545 ' CD ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.04 1.26 55.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.586 ' O ' ' CD1' ' A' ' 97' ' ' ILE . . . -169.61 79.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.8 p -83.4 15.13 3.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -96.88 -88.86 0.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 109.634 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.438 ' CD ' ' O ' ' A' ' 114' ' ' GLY . 2.1 mtp180 -100.35 104.56 16.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.586 ' CD1' ' O ' ' A' ' 93' ' ' ALA . 38.0 mm -113.99 167.57 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.5 ' N ' ' CG2' ' A' ' 97' ' ' ILE . 2.2 p -87.9 148.18 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -111.61 179.31 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.572 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.548 ' NH2' ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER -141.02 101.67 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 102' ' ' VAL . 2.6 p -102.09 145.07 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.474 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 7.5 p -122.8 85.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.03 -41.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.3 t -135.34 176.38 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.03 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -97.89 134.82 40.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -146.97 138.76 24.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.551 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 15.0 mt-10 -103.77 146.41 28.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.416 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.1 OUTLIER -138.56 143.87 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -159.78 164.51 34.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 111' ' ' THR . 0.4 OUTLIER -148.93 168.74 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.439 ' N ' HG12 ' A' ' 110' ' ' VAL . 3.2 p -114.2 -24.93 8.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -155.8 -44.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 110.34 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 157.72 -22.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.438 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -78.2 -75.0 0.99 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.434 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.3 mt-10 -78.46 141.72 38.05 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.532 0.784 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.414 ' CG2' HG22 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -128.41 164.1 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 2.7 pp -132.57 140.43 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.551 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.92 153.58 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -173.34 126.94 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.6 mp -81.85 51.07 1.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 9.3 t-20 61.32 141.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.901 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.712 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' TRP . 41.2 t 36.52 58.69 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.472 ' HA ' ' CB ' ' A' ' 12' ' ' ALA . 1.3 tt0 39.95 72.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.04 -80.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -133.2 -79.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.2 mt -85.27 13.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 8' ' ' GLN . . . -43.93 -35.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -58.22 8.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 6.7 tt0 -60.65 -27.69 68.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.45 ' O ' ' CG2' ' A' ' 18' ' ' THR . 8.9 mp -68.79 -56.22 8.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -35.37 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.08 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -69.67 -27.15 64.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.6 t -78.06 177.24 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 2.6 ptt-85 85.29 120.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -125.16 69.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 59.93 28.89 18.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 23' ' ' SER . 97.9 t -104.71 -108.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 0.0 109.19 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.442 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -52.95 -66.69 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.048 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 39.24 56.5 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.505 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -68.98 -32.7 55.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.712 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 12.9 pt-20 -66.02 -41.98 90.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -58.9 4.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' CD ' ' HA ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -57.07 -42.4 80.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.458 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 25.2 t0 -79.52 -53.86 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -49.9 -39.18 38.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.72 -42.24 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.5 ' CE ' ' HE3' ' A' ' 92' ' ' LYS . 10.3 mmtm -49.45 -29.66 6.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.211 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.9 t -54.66 -22.29 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.958 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -83.51 5.97 22.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -47.59 -40.59 19.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 79.5 -176.7 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.61 1.194 . . . . 0.0 109.976 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.3 Cg_endo -74.95 125.24 9.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.2 t -133.49 162.06 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -156.4 134.76 11.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.524 ' HB ' ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -152.84 148.65 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.61 148.45 25.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.0 139.67 41.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.276 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -120.33 -174.15 2.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -52.47 128.26 25.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.401 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -51.01 -24.78 8.95 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.54 -30.09 71.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 0.71 . . . . 0.0 109.212 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.4 7.45 33.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 tp -49.21 -40.46 33.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -58.08 -49.53 76.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.44 -40.17 64.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.405 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -56.94 -27.45 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.78 -49.91 80.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -63.11 -33.15 74.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.501 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -74.94 -34.75 62.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.524 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 25.6 mt -65.16 -50.28 66.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -47.01 -45.38 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.05 -23.26 61.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 mm-40 -92.62 -40.34 10.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' GLU . 13.2 m -89.84 -65.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.3 t30 -39.75 -33.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -50.27 61.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.18 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -108.69 14.69 24.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.247 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.08 -168.91 12.73 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.5 tp -92.33 157.67 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.24 99.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.604 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.446 ' CG1' ' CG ' ' A' ' 80' ' ' HIS . 3.1 t -134.67 136.02 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.46 ' CG1' ' HB ' ' A' ' 18' ' ' THR . 1.4 pt -109.24 46.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.465 ' CE1' HD22 ' A' ' 88' ' ' LEU . 63.6 m170 -86.96 163.84 16.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -105.06 166.6 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.4 t -64.9 -29.63 70.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.8 mt -74.48 -38.64 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.445 HG21 ' CD1' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -74.49 -35.15 63.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.428 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.462 ' CD1' ' CB ' ' A' ' 80' ' ' HIS . 4.6 mp -59.46 -41.05 88.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.15 -46.72 89.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.524 ' CE1' ' NH2' ' A' ' 90' ' ' ARG . 1.3 t80 -71.57 -49.46 40.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.465 HD22 ' CE1' ' A' ' 80' ' ' HIS . 6.2 mp -56.32 -51.23 69.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.667 ' O ' ' N ' ' A' ' 93' ' ' ALA . 8.0 mt -61.05 -51.81 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.524 ' NH2' ' CE1' ' A' ' 87' ' ' PHE . 1.3 mtm180 -38.88 -34.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -71.88 -46.46 57.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.513 ' CD ' ' HA ' ' A' ' 89' ' ' ILE . 0.4 OUTLIER -89.85 0.78 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -176.06 84.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -6.14 24.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -96.09 -77.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.576 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.469 ' HG3' ' CB ' ' A' ' 93' ' ' ALA . 1.0 OUTLIER -67.85 106.31 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.441 HD13 ' CG ' ' A' ' 90' ' ' ARG . 5.8 mt -132.82 159.85 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 p -111.65 125.02 68.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -101.36 -173.29 2.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.584 1.178 . . . . 0.0 109.615 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -166.63 130.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.3 p -117.24 149.93 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.53 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 9.0 p -116.74 80.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.23 -38.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 t -135.22 176.99 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.33 136.92 32.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -133.86 168.93 17.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 20.0 mt-10 -152.51 141.82 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.574 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -145.63 142.5 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.211 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.4 ' O ' HG13 ' A' ' 117' ' ' ILE . . . -162.59 175.6 38.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -153.22 164.65 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.8 p -113.12 -26.65 8.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.433 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.524 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.63 -49.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.332 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER 153.92 -21.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.6 -70.15 1.31 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.89 135.89 33.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.2 pp -115.51 163.56 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 109' ' ' GLY . 2.6 pp -131.6 139.63 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -138.04 154.5 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -164.63 170.9 15.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -110.84 12.33 22.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 120' ' ' LEU . 3.2 t30 60.94 142.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.954 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.644 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.96 -58.0 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -157.66 64.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 0.0 110.265 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.12 -83.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -153.84 -77.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.5 mt -77.15 0.97 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.29 -33.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.31 -56.6 19.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -60.61 -25.28 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.41 ' N ' HD13 ' A' ' 15' ' ' LEU . 9.0 mp -73.69 -50.15 22.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -56.75 -34.98 68.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -67.33 -33.95 76.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.385 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.92 153.8 22.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.492 ' CA ' ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -175.91 -41.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.424 ' C ' ' N ' ' A' ' 22' ' ' VAL . 1.3 tp60 38.07 31.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.2 m-20 45.46 25.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.068 . . . . 0.0 109.251 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 23' ' ' SER . 53.9 t -104.65 -102.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 25' ' ' ILE . 11.0 m -79.6 16.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.492 ' HB1' ' CA ' ' A' ' 19' ' ' ARG . . . -66.71 61.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' A' ' 23' ' ' SER . 82.2 mt -67.21 -20.51 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.644 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 42.0 mt-10 -65.37 -59.0 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.398 1.061 . . . . 0.0 110.221 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -47.93 73.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -55.18 -53.96 49.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -76.08 -53.5 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.387 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -48.03 -38.31 16.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -79.9 -39.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -26.27 25.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -78.47 -5.65 53.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 43' ' ' VAL . 13.1 mt -44.89 -38.57 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 48' ' ' SER . 14.9 mtpt -136.97 -95.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER 155.82 -57.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 48' ' ' SER . 18.4 Cg_endo -74.96 127.65 10.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.3 t -150.12 136.68 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -147.96 142.94 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.537 ' CG2' HD21 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -151.24 147.18 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 67' ' ' LEU . 7.3 tt -96.49 147.15 24.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.3 t -114.38 123.43 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -111.59 -173.06 2.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' CG ' ' HB ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -50.93 126.78 17.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.358 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.413 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -48.79 -29.72 8.29 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.582 1.176 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.04 -22.95 65.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.435 ' HB ' ' CG ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -112.03 7.84 19.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 64' ' ' ILE . 11.1 tp -51.58 -41.37 61.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.16 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -56.89 -48.52 77.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.411 1.069 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.3 tt0 -73.95 -38.97 64.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -24.79 30.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 60' ' ' LEU . 10.4 mt -65.73 -48.63 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 12.7 pttt -66.43 -34.47 78.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.485 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.64 -37.07 65.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.537 HD21 ' CG2' ' A' ' 52' ' ' ILE . 14.9 mt -71.62 -43.27 66.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -47.69 -46.46 29.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.2 mm-40 -54.6 -24.02 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.8 mm-40 -93.66 -42.17 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.454 ' C ' ' N ' ' A' ' 73' ' ' LYS . 1.4 m -87.31 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 110.079 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -41.21 -28.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.59 -59.41 4.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' CD ' ' O ' ' A' ' 70' ' ' GLU . 8.9 pm0 -80.64 3.12 23.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.4 -169.92 13.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.47 HG21 ' CG1' ' A' ' 22' ' ' VAL . 5.4 tp -93.59 165.12 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.22 99.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.427 HG11 ' N ' ' A' ' 79' ' ' ILE . 2.0 t -134.72 143.97 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.427 ' N ' HG11 ' A' ' 78' ' ' VAL . 18.9 pt -117.81 53.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.584 ' CE1' HD22 ' A' ' 88' ' ' LEU . 53.2 m170 -87.33 167.62 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -107.04 174.64 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.28 -31.66 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.8 mt -74.3 -36.22 42.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.02 -35.07 66.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.43 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.66 -39.11 83.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.71 92.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.12 -49.94 38.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.584 HD22 ' CE1' ' A' ' 80' ' ' HIS . 3.5 mp -59.22 -48.97 79.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 93' ' ' ALA . 78.9 mt -63.16 -50.51 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.604 1.19 . . . . 0.0 109.379 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 94' ' ' SER . 4.8 mtm180 -38.33 -34.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -66.75 -44.24 82.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.562 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -88.64 -15.77 34.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -154.27 74.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 90' ' ' ARG . 4.3 p -73.41 -2.62 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -89.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.643 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.473 ' HD3' ' CG1' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -93.32 108.49 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.21 171.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.601 1.188 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 p -98.01 152.08 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.15 -172.04 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.3 126.73 14.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.5 p -119.59 149.92 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.471 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 7.9 p -129.22 84.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.96 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.3 t -135.24 176.99 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -89.47 134.89 33.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -138.32 171.06 14.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 47.9 mt-10 -151.81 145.36 24.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.539 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -143.25 140.6 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.418 ' O ' ' CG1' ' A' ' 117' ' ' ILE . . . -160.75 148.79 17.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.168 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.462 ' CG2' HD13 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -132.68 163.52 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 0.724 . . . . 0.0 109.314 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 31.9 p -112.29 -25.15 9.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -151.28 -49.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.7 OUTLIER 157.4 -23.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.236 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.79 -73.91 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -78.4 136.11 37.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.473 ' CG1' ' HD3' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -123.12 162.75 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 109' ' ' GLY . 5.3 pt -132.51 139.16 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -133.01 154.38 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.56 166.41 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 121' ' ' ASN . 0.1 OUTLIER -114.37 6.58 16.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.608 1.193 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 120' ' ' LEU . 8.9 t-20 61.03 142.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.019 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.687 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.2 t -93.81 -42.61 9.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.91 55.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.88 -79.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.97 -69.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.9 mt -74.69 -1.93 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.14 -42.26 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 11.6 ptp180 -56.52 -53.72 54.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 13' ' ' ARG . 5.1 tt0 -56.06 -35.08 66.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.538 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 11.2 mp -61.4 -56.19 23.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -32.03 33.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 m -82.71 -27.42 31.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.506 ' CG2' ' NE2' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -84.54 -173.6 4.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.584 ' NE ' ' CE1' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 77.72 13.05 1.84 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 19' ' ' ARG . 23.8 mm-40 33.61 40.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 t30 41.69 27.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.434 ' N ' ' C ' ' A' ' 20' ' ' GLN . 13.1 p -96.91 -3.96 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -149.32 -78.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 34.7 67.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.496 HD12 ' CA ' ' A' ' 88' ' ' LEU . 4.9 mt -45.4 -25.4 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.687 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -65.41 -41.44 93.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ALA . 3.3 mtp180 -76.12 -49.75 16.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.31 -39.38 79.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.483 ' CD1' ' HB3' ' A' ' 91' ' ' GLU . 2.1 pt? . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -67.23 -58.26 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -52.23 -31.35 31.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -83.93 -25.09 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -64.17 -45.81 86.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -56.46 -20.07 18.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt -83.05 6.51 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.255 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD3' ' NH1' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -52.02 -50.79 60.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.551 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 49.79 -179.5 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.1 Cg_endo -75.0 131.29 14.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.5 t -149.16 160.84 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.43 139.68 16.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.476 ' CD1' ' OG ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -162.4 148.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.527 ' O ' ' CD1' ' A' ' 67' ' ' LEU . 2.5 tt -97.7 148.94 22.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.506 ' SG ' ' CD1' ' A' ' 60' ' ' LEU . 6.7 t -118.77 139.25 51.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.1 -173.97 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.318 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.85 143.03 17.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.91 -19.35 3.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -79.43 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -2.11 5.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.376 1.048 . . . . 0.0 110.405 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.506 ' CD1' ' SG ' ' A' ' 54' ' ' CYS . 4.5 tp -48.41 -41.16 28.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -57.28 -50.06 74.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -41.57 67.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.465 HG22 HD13 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -57.66 -34.59 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.533 ' CG1' ' HA ' ' A' ' 81' ' ' ASP . 0.5 OUTLIER -62.22 -38.47 81.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -43.01 94.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -34.79 72.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.255 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.527 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 52.2 mt -67.97 -44.08 77.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.597 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -47.48 -44.84 25.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.411 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.6 mm-40 -56.3 -24.09 41.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.7 mm-40 -93.12 -40.6 10.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.476 ' OG ' ' CD1' ' A' ' 52' ' ' ILE . 38.3 m -91.15 -64.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.597 ' N ' ' O ' ' A' ' 68' ' ' LEU . 4.9 t30 -40.13 -32.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.62 -50.97 68.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -92.87 6.7 46.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.17 -171.53 13.95 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 77' ' ' HIS . 7.5 tp -92.18 154.98 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.42 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -45.11 99.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.589 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.424 HG12 ' NH2' ' A' ' 19' ' ' ARG . 3.9 t -134.74 142.3 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.3 pt -127.87 37.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.584 ' CE1' ' NE ' ' A' ' 19' ' ' ARG . 11.7 m170 -87.45 164.28 16.26 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 109.567 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.533 ' HA ' ' CG1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -101.38 167.79 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.42 -29.75 70.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.467 ' CG1' HD23 ' A' ' 60' ' ' LEU . 2.3 mt -65.09 -40.6 89.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.495 HG23 ' CD1' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -78.75 -32.39 46.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.473 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -57.64 -36.72 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.16 91.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -72.03 -51.52 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.568 HD21 ' CE1' ' A' ' 80' ' ' HIS . 6.6 mp -56.19 -50.44 71.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.657 ' O ' ' N ' ' A' ' 93' ' ' ALA . 67.9 mt -64.32 -50.46 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.63 -35.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -72.32 -44.98 61.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -89.06 0.73 56.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.657 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -176.62 84.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.3 p -69.02 -6.33 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.09 -75.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.645 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.464 ' HG3' ' CB ' ' A' ' 93' ' ' ALA . 0.3 OUTLIER -70.38 104.64 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.09 159.49 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.2 p -108.48 128.91 63.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -172.14 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.458 ' HG3' ' CD1' ' A' ' 60' ' ' LEU . 6.9 tmm_? -169.14 114.85 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.58 149.0 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.84 67.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.83 -42.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.2 p -129.7 176.25 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.31 147.01 25.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.573 ' CE1' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -151.81 134.33 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 54.3 mt-10 -105.68 148.98 26.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.526 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -141.95 146.36 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.495 ' C ' ' CG1' ' A' ' 117' ' ' ILE . . . -167.71 170.55 41.84 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.437 1.086 . . . . 0.0 110.982 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -146.08 168.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.3 p -114.09 -27.94 7.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.408 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.99 -48.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.2 OUTLIER 154.17 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.41 -70.99 1.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.479 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 5.7 mm-40 -78.55 161.35 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.7 157.67 43.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.495 ' CG1' ' C ' ' A' ' 109' ' ' GLY . 6.9 pt -132.4 140.3 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 14.9 p -145.44 154.29 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.444 ' N ' HG22 ' A' ' 118' ' ' VAL . 8.0 t70 -173.39 128.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.573 HD11 ' CE1' ' A' ' 106' ' ' PHE . 4.5 mp -81.55 50.82 1.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.3 t-20 61.43 140.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.693 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.97 -53.71 3.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.43 47.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -67.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -164.33 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mt -73.84 -0.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.01 -41.38 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 14.8 ptt180 -55.01 -54.63 40.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' N ' ' CG ' ' A' ' 13' ' ' ARG . 2.2 tt0 -59.34 -27.72 66.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 18' ' ' THR . 0.5 OUTLIER -72.0 -52.09 18.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -52.48 -34.99 51.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.221 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 m -60.74 -27.23 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.511 ' CG2' ' N ' ' A' ' 19' ' ' ARG . 4.7 t -85.61 -149.42 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.511 ' N ' ' CG2' ' A' ' 18' ' ' THR . 13.2 ttp-105 85.04 36.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.02 62.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER 64.92 25.53 12.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.553 ' O ' ' CB ' ' A' ' 23' ' ' SER . 8.0 p -100.19 75.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 1.7 t 89.03 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.951 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 32.55 54.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.453 ' CG2' ' HG3' ' A' ' 91' ' ' GLU . 93.4 mt -71.27 -35.43 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.693 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 6.3 pt-20 -67.59 -47.05 70.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -54.19 44.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -56.89 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.385 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.433 ' N ' HD12 ' A' ' 40' ' ' LEU . 25.5 t0 -66.7 -56.93 8.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 3.0 t80 -51.85 -33.27 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.607 1.192 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -83.76 -21.97 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.433 1.083 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.492 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -66.36 -44.13 84.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.492 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 34.2 t -45.1 -44.97 10.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.7 mt -39.26 -41.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.696 ' HZ1' ' NH2' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 42.06 38.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.8 m -62.74 145.73 95.36 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.452 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 18.1 Cg_endo -75.02 149.27 36.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 49' ' ' PRO . 62.7 t -155.11 161.27 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -158.61 139.5 12.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.42 1.075 . . . . 0.0 110.34 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.439 ' CD1' HD12 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -156.74 146.81 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 tt -93.81 148.98 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.4 t -118.91 126.29 51.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 108.354 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -115.63 -171.94 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -49.98 127.29 16.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.45 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -46.41 -26.68 2.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.13 -33.73 76.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.754 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.464 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -99.4 8.19 44.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.523 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 8.0 tp -55.35 -45.22 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -52.12 -49.12 64.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -36.37 67.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.464 HD13 ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER -61.16 -27.5 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.54 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -62.6 -50.13 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -63.07 -34.24 77.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.56 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.1 mtp180 -73.47 -33.49 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -61.36 -50.37 73.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -46.37 -50.46 16.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -51.58 -24.63 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.329 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.7 mm-40 -94.41 -41.42 9.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.592 1.183 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 74' ' ' GLU . 20.1 m -86.47 -66.34 0.92 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.029 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 t30 -40.46 -29.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -62.49 -51.16 68.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.0 pp20? -95.53 3.31 54.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.01 -172.63 13.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.406 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 8.3 tp -92.7 162.46 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.428 0.722 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.19 100.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.576 HG12 ' CD2' ' A' ' 80' ' ' HIS . 2.9 t -134.25 137.41 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.45 ' CG1' ' HB ' ' A' ' 18' ' ' THR . 46.1 pt -114.72 49.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.576 ' CD2' HG12 ' A' ' 78' ' ' VAL . 6.9 m-70 -87.14 167.96 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.574 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.457 ' HA ' ' CG1' ' A' ' 64' ' ' ILE . 3.5 m-20 -111.87 172.51 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.3 t -68.6 -30.81 69.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.7 mt -74.1 -35.03 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.454 ' CB ' HD11 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -76.57 -33.59 58.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.473 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.497 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 5.8 mp -58.82 -41.89 87.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.63 97.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -72.31 -49.75 32.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.408 ' CD1' HG21 ' A' ' 84' ' ' THR . 5.5 mp -61.53 -40.15 93.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.586 ' O ' ' N ' ' A' ' 93' ' ' ALA . 75.8 mt -69.65 -51.61 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.76 -34.71 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.453 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 2.5 mm-40 -70.59 -46.23 63.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.31 1.95 55.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.586 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -170.52 79.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.4 p -79.58 3.42 18.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.443 1.089 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -87.15 -88.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.551 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -100.71 111.83 24.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -115.54 171.84 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.429 HG23 ' CG1' ' A' ' 108' ' ' ILE . 2.5 p -97.05 148.39 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.62 -168.96 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.563 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -160.66 119.35 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.0 p -112.33 149.49 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.495 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 9.4 p -116.17 85.71 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.96 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 t -135.54 176.88 8.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.4 137.11 37.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.561 ' CD1' ' HG ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.99 139.47 18.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.585 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 32.6 mt-10 -111.34 148.95 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.429 ' CG1' HG23 ' A' ' 98' ' ' VAL . 0.2 OUTLIER -135.91 137.21 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.363 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.42 ' CA ' HG13 ' A' ' 117' ' ' ILE . . . -149.33 154.93 26.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.463 HG23 ' CG2' ' A' ' 116' ' ' ILE . 0.8 OUTLIER -143.56 156.75 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 p -115.13 -20.77 10.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 110.379 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.696 ' NH2' ' HZ1' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -144.73 -53.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.253 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 5.3 m-20 155.55 -23.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.46 -70.56 1.33 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -79.2 136.98 37.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 110.315 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.463 ' CG2' HG23 ' A' ' 110' ' ' VAL . 2.2 pp -122.79 166.56 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.42 HG13 ' CA ' ' A' ' 109' ' ' GLY . 1.2 pt -132.75 140.3 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.585 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 17.9 m -122.43 153.45 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.3 110.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.561 ' HG ' ' CD1' ' A' ' 106' ' ' PHE . 3.0 mp -84.12 50.21 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 120' ' ' LEU . 12.2 t-20 61.24 140.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.644 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.02 -87.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.454 ' HA ' ' CB ' ' A' ' 12' ' ' ALA . 10.2 tt0 -158.48 54.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -57.37 -65.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -154.28 -84.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.8 mt -75.5 5.16 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.454 ' CB ' ' HA ' ' A' ' 8' ' ' GLN . . . -39.31 -37.14 0.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.162 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -58.69 6.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.24 -24.93 63.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.503 ' O ' ' CG2' ' A' ' 18' ' ' THR . 0.9 OUTLIER -69.17 -60.4 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' O ' ' NH1' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -51.26 -30.53 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 2.2 m -69.48 -29.54 67.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.528 ' CG2' ' N ' ' A' ' 19' ' ' ARG . 6.9 t -81.9 -144.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.528 ' N ' ' CG2' ' A' ' 18' ' ' THR . 0.0 OUTLIER 35.14 67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.22 60.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' ARG . 7.5 m-20 62.3 23.61 13.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.6 t -100.19 3.92 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 24' ' ' ALA . 20.5 t -176.05 -73.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.984 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 37.77 60.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.459 HD11 ' CA ' ' A' ' 88' ' ' LEU . 11.0 mt -50.55 -25.65 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.644 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 10.6 pt-20 -71.84 -52.87 15.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 18.6 ttt180 -58.12 -50.67 72.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -57.68 11.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.444 ' CD2' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -70.99 -55.68 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -51.42 -37.21 47.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -27.8 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.457 ' CE ' ' NH2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -63.58 -34.71 78.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' LEU . 37.5 t -53.11 -45.13 68.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.041 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.5 mt -39.94 -58.08 1.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 mttt 66.79 60.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.97 144.56 30.25 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.407 ' C ' ' CG2' ' A' ' 50' ' ' VAL . 18.2 Cg_endo -74.99 144.65 30.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.407 ' CG2' ' C ' ' A' ' 49' ' ' PRO . 23.8 t -153.04 161.31 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.3 142.5 9.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.528 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -154.05 148.6 13.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 109.247 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.81 145.2 26.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 t -103.33 139.06 39.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -119.98 -174.1 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 59' ' ' THR . 4.3 mtm180 -57.86 127.69 33.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.458 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -46.78 -26.64 2.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -63.63 -35.04 79.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.754 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.457 ' O ' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -99.7 9.15 43.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' HG22 ' A' ' 63' ' ' ILE . 11.6 tp -51.35 -43.76 61.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -52.67 -49.91 64.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -35.66 68.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.211 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.405 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -61.6 -25.92 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.501 HD12 ' N ' ' A' ' 64' ' ' ILE . 1.6 mm -63.01 -48.19 89.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 1.5 tttp -65.03 -34.53 78.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -32.85 62.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.528 HD23 ' CG2' ' A' ' 52' ' ' ILE . 13.5 mt -64.64 -54.15 36.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 72' ' ' ASN . 3.3 pp -54.62 -39.64 68.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 65' ' ' LYS . 4.6 mm-40 -60.81 -24.03 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.407 ' O ' ' OE2' ' A' ' 74' ' ' GLU . 1.6 mm-40 -95.22 -35.39 11.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.252 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -91.45 -63.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.9 t-20 -43.36 -32.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -38.44 65.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.0 OUTLIER -119.53 13.83 12.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.257 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.66 -167.75 12.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 77' ' ' HIS . 7.2 tp -90.59 154.29 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 0.734 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.424 ' N ' HG13 ' A' ' 76' ' ' ILE . 7.3 t-160 -48.42 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.4 1.063 . . . . 0.0 109.565 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.3 t -136.34 140.24 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.1 pt -127.57 49.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.55 ' ND1' ' CD2' ' A' ' 88' ' ' LEU . 50.9 m170 -90.0 165.8 13.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.477 ' CB ' HG13 ' A' ' 64' ' ' ILE . 1.3 m-20 -105.22 164.67 11.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.434 ' CB ' ' HD3' ' A' ' 100' ' ' ARG . 1.1 t -55.05 -35.3 64.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.998 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mt -63.59 -42.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.501 HG22 ' CD2' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -75.9 -35.11 59.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.459 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 1.3 mp -58.29 -41.65 84.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.83 -44.76 95.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.49 -50.99 26.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.55 ' CD2' ' ND1' ' A' ' 80' ' ' HIS . 6.1 mp -57.92 -50.22 74.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 93' ' ' ALA . 86.6 mt -61.93 -52.9 55.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -39.77 -35.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -45.99 61.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.504 ' CD ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.19 0.62 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.648 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -176.15 83.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.9 p -69.22 -6.05 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -95.96 -75.49 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.559 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.462 ' HG3' ' CB ' ' A' ' 93' ' ' ALA . 4.8 ppt_? -70.83 104.38 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.7 mt -128.99 170.96 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.5 p -117.44 135.49 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -97.01 169.78 9.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.559 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.434 ' HD3' ' CB ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -143.99 115.47 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.8 p -116.01 149.33 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.503 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 9.9 p -124.7 81.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.355 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -177.29 -38.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.3 m -134.89 176.6 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.03 136.79 32.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.82 170.54 15.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.48 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 46.4 mt-10 -154.78 140.22 17.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.569 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -145.45 142.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.44 ' O ' ' CG1' ' A' ' 117' ' ' ILE . . . -166.82 162.77 36.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -133.01 168.87 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.261 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.1 p -114.81 -28.53 7.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.36 -49.27 0.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER 155.4 -21.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.11 -68.18 1.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -81.09 150.17 28.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 0.726 . . . . 0.0 110.332 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.0 pp -128.26 159.85 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 109' ' ' GLY . 5.9 pt -131.52 139.96 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 14.3 p -140.18 157.22 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -169.1 168.08 10.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -106.57 14.37 27.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.5 t-20 61.12 141.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.1 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.722 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -35.1 79.46 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.576 1.172 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 170.86 72.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.92 -77.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -138.47 -85.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 mt -77.4 3.07 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.27 -35.06 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -57.53 11.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.453 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 1.4 mt-10 -59.65 -30.73 68.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 80' ' ' HIS . 1.1 tt -65.83 -52.29 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -55.37 -37.41 67.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -27.6 68.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.472 ' HB ' ' CG1' ' A' ' 79' ' ' ILE . 0.5 OUTLIER -87.78 128.42 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.53 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER 176.17 40.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.225 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -69.47 59.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.02 27.34 12.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.55 ' CG1' ' N ' ' A' ' 23' ' ' SER . 2.7 p -90.44 -146.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.55 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -49.87 -63.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.019 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.462 ' CB ' ' HG3' ' A' ' 19' ' ' ARG . . . 45.09 53.28 7.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 62.9 mt -76.59 -30.47 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.722 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -66.03 -42.19 89.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -74.26 -50.44 18.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -56.24 -44.43 79.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 109.371 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.423 ' CD2' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.4 ' N ' HD23 ' A' ' 40' ' ' LEU . 21.0 t70 -69.9 -56.44 7.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -49.28 -38.75 28.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -78.3 -30.5 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -35.18 74.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' LEU . 48.3 t -50.88 -46.28 60.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.075 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.6 mt -39.2 -51.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.4 mttt 68.6 63.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.9 p -96.45 139.56 21.75 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 151.58 39.68 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.5 t -152.91 161.38 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.16 142.43 13.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.406 ' CD1' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -161.49 147.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -99.42 148.03 24.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 23.5 t -108.01 129.4 55.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -116.19 -174.75 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.223 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.86 126.59 20.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.456 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -47.25 -28.22 4.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -61.3 -31.66 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.417 0.716 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.413 ' O ' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -103.53 7.97 37.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tp -49.64 -40.91 41.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -57.09 -49.38 76.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -38.59 67.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.236 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.459 HD13 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -57.39 -29.61 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.233 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 61' ' ' ASP . 9.2 mt -61.9 -46.6 96.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -63.75 -39.23 93.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.44 -34.57 72.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -65.27 -51.88 57.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.563 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -49.12 -44.47 42.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.28 -24.76 45.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -93.64 -41.04 9.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.253 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 74' ' ' GLU . 14.3 m -85.73 -65.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.5 t30 -42.24 -29.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -63.75 -48.65 76.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.9 pt-20 -97.05 6.84 47.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.51 -171.46 13.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.555 1.159 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 6.7 mm -91.61 161.46 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -47.24 98.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.597 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 83.2 t -135.8 141.99 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.472 ' CG1' ' HB ' ' A' ' 18' ' ' THR . 21.8 pt -122.12 51.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.534 ' ND1' ' CD2' ' A' ' 88' ' ' LEU . 65.0 m170 -88.26 167.24 13.74 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.551 1.157 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -112.99 175.63 5.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.227 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -68.87 -32.27 71.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 110.064 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.418 HG23 ' NH1' ' A' ' 100' ' ' ARG . 14.9 mt -70.18 -35.59 63.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.442 HG21 ' CD1' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -77.42 -36.67 52.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.514 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.67 -35.73 75.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.25 -50.29 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.34 -48.41 42.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.534 ' CD2' ' ND1' ' A' ' 80' ' ' HIS . 7.4 mp -56.29 -38.86 71.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 93' ' ' ALA . 68.4 mt -74.18 -50.84 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.81 -36.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -43.48 32.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.242 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -83.11 -3.25 57.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.648 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -177.45 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.09 0.99 16.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.09 -77.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.29 108.51 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -117.47 171.49 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.2 p -100.07 148.29 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.593 ' NE2' ' CE2' ' A' ' 106' ' ' PHE . 46.8 p-80 -111.76 -172.88 2.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.677 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.514 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 7.9 ptp180 -144.25 117.09 8.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.381 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.433 HG21 ' N ' ' A' ' 102' ' ' VAL . 7.5 p -115.51 143.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.47 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 7.4 p -128.85 81.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.75 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.1 m -134.38 176.52 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.96 141.41 28.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CE2' ' NE2' ' A' ' 99' ' ' HIS . 0.2 OUTLIER -144.92 166.46 25.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.602 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 0.7 OUTLIER -149.49 146.61 27.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.568 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -146.9 145.06 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.365 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.24 169.42 38.34 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.477 HG22 ' CB ' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -154.0 170.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.3 p -115.89 -26.38 7.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.42 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -153.79 -45.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 160.77 -24.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.57 -75.08 1.0 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.405 ' C ' HG21 ' A' ' 116' ' ' ILE . 3.5 pm0 -79.54 136.61 36.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 0.717 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.477 ' CB ' HG22 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -132.75 166.21 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.9 pp -130.98 139.68 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.602 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 4.3 m -149.27 157.22 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.416 ' HB3' ' CD ' ' A' ' 107' ' ' GLU . 5.5 t0 -170.4 170.66 6.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -107.16 11.56 29.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 120' ' ' LEU . 5.4 t30 61.49 142.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.492 0.187 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -169.05 -68.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -115.43 162.05 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.607 ' C ' ' CZ ' ' A' ' 87' ' ' PHE . 0.9 OUTLIER -128.67 31.72 4.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.362 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.573 ' HA3' ' CD1' ' A' ' 87' ' ' PHE . . . 82.15 -63.36 4.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.608 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -101.44 59.77 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 8' ' ' GLN . 99.9 p -97.7 45.41 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.406 ' CB ' ' O ' ' A' ' 7' ' ' SER . 2.6 tm0? 79.11 63.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.222 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -75.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -139.09 -92.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' ALA . 15.6 mt -71.29 -2.07 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.23 -37.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' CG ' ' H ' ' A' ' 14' ' ' GLU . 20.9 ptt85 -54.4 -55.47 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' H ' ' CG ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -61.38 -28.33 69.16 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.44 1.088 . . . . 0.0 110.255 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.446 ' HG ' ' HA ' ' A' ' 80' ' ' HIS . 7.8 mp -68.5 -57.98 5.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -51.92 -31.47 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.457 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 23.7 m -71.85 -27.43 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -87.35 122.55 31.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 178.43 52.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 110.227 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.23 65.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.225 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 52.92 21.23 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -91.04 -139.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -49.83 -60.49 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 37.84 56.27 1.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 36.5 mt -67.95 -26.73 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.608 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 10.1 mt-10 -69.59 -52.09 29.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -47.34 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.472 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 6.9 mmtt -59.42 -58.3 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -45.02 -57.35 3.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -20.89 63.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' LYS . 2.5 mt-10 -79.55 46.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 45.41 34.09 1.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -51.57 154.0 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -163.32 -65.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.67 77.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' ARG . 14.6 m -147.67 -69.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.383 1.052 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -36.26 -64.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER 81.52 38.5 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.3 m -74.85 -78.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -50.27 -24.59 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.8 -55.89 8.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.363 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -54.34 -35.86 63.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.98 -23.04 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -42.57 90.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -46.66 -44.98 18.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 mt -41.15 -57.06 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.94 44.48 30.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -78.02 149.65 76.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.045 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 149.46 36.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.4 t -152.31 161.59 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.46 135.07 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 pt -152.16 147.81 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.4 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -100.97 148.4 25.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.182 . . . . 0.0 109.323 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.0 t -112.79 140.82 47.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.192 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -125.04 -172.92 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -51.24 126.05 15.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.426 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -47.99 -31.56 8.22 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.581 1.176 . . . . 0.0 111.037 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.0 -18.68 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.495 HG21 ' CD1' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -115.72 6.09 14.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.417 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 tp -49.73 -41.3 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -56.88 -50.8 71.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -35.9 66.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.495 ' CD1' HG21 ' A' ' 59' ' ' THR . 0.6 OUTLIER -60.22 -29.91 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.403 HG21 ' OD2' ' A' ' 81' ' ' ASP . 8.5 mt -60.83 -43.44 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.6 -38.4 83.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -34.71 71.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 63' ' ' ILE . 3.9 mt -64.99 -52.39 56.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.548 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -49.51 -45.32 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' O ' ' CD ' ' A' ' 73' ' ' LYS . 2.6 mm-40 -56.33 -24.66 45.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -93.42 -41.0 10.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 74' ' ' GLU . 65.3 m -86.39 -66.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.063 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 t30 -42.2 -28.32 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -61.69 -48.26 81.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.4 pt-20 -106.08 12.44 30.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.69 -168.72 12.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.407 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 7.3 tp -91.61 149.47 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -48.94 99.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 109.605 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.25 142.47 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.407 ' CD1' ' O ' ' A' ' 14' ' ' GLU . 2.7 pt -117.56 49.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.446 ' HA ' ' HG ' ' A' ' 15' ' ' LEU . 12.8 m-70 -86.88 166.37 15.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.651 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.403 ' OD2' HG21 ' A' ' 64' ' ' ILE . 65.2 m-20 -107.78 162.84 13.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.1 t -60.28 -30.89 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 36.8 mt -73.26 -34.56 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.492 ' CG2' HD21 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -79.32 -32.38 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.368 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.503 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 4.9 mp -60.06 -41.45 92.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.56 96.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.607 ' CZ ' ' C ' ' A' ' 4' ' ' ARG . 1.8 t80 -71.35 -50.55 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.492 HD21 ' CG2' ' A' ' 84' ' ' THR . 7.6 mp -59.46 -40.34 86.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.606 ' O ' ' N ' ' A' ' 93' ' ' ALA . 66.3 mt -68.15 -52.02 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -39.17 -35.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -45.78 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.533 ' CD ' ' HA ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -89.16 0.37 56.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.606 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -171.92 80.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.1 p -79.8 3.31 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.968 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -87.56 -84.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.615 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.461 ' CD ' ' O ' ' A' ' 114' ' ' GLY . 4.3 mtp180 -102.69 110.46 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.404 1.065 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -114.87 171.57 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.6 p -97.65 145.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.262 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -116.42 -177.77 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.612 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -144.17 129.63 18.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.28 149.91 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.469 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 7.7 p -129.25 81.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -178.09 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.37 177.13 8.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.2 138.7 31.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.559 ' CZ ' ' CG2' ' A' ' 118' ' ' VAL . 0.9 OUTLIER -137.61 165.86 25.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.568 1.167 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 4.2 mt-10 -148.14 140.91 24.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.215 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -136.88 144.8 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.414 ' N ' HD11 ' A' ' 117' ' ' ILE . . . -156.37 159.02 29.14 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.514 HG22 ' CG2' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -152.74 164.5 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.2 p -115.7 -25.83 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.501 1.125 . . . . 0.0 110.441 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.43 -50.37 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 1.9 m-20 158.76 -24.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.461 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -76.02 -73.08 1.02 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -83.08 133.75 35.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.551 ' CD1' ' N ' ' A' ' 117' ' ' ILE . 0.5 OUTLIER -128.45 168.85 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.551 ' N ' ' CD1' ' A' ' 116' ' ' ILE . 2.8 pp -131.37 140.26 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.559 ' CG2' ' CZ ' ' A' ' 106' ' ' PHE . 14.3 p -131.34 154.57 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -166.46 171.7 11.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -109.13 20.46 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 120' ' ' LEU . 5.2 t30 61.28 139.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.507 0.194 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -39.01 -59.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.96 130.61 44.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.549 ' O ' ' CZ ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -43.08 162.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.569 ' HA3' ' CZ ' ' A' ' 87' ' ' PHE . . . 100.86 104.82 2.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.646 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 43.7 42.37 4.22 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.9 t -69.31 -75.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.84 53.78 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -68.84 -75.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.45 -84.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.424 ' C ' ' N ' ' A' ' 13' ' ' ARG . 11.8 mt -72.46 -4.58 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.34 -27.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -65.54 -56.57 11.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.32 -22.86 66.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.269 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 80' ' ' HIS . 9.8 mp -77.39 -59.07 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -50.5 -30.58 13.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 m -77.49 -27.49 51.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -86.9 125.66 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' NH2' ' HG3' ' A' ' 27' ' ' ARG . 0.9 OUTLIER 175.41 61.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.245 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -71.57 58.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.1 m120 47.47 27.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 76' ' ' ILE . 8.3 p -106.59 5.54 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.41 -79.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.051 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 44.29 58.11 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 21.6 mt -72.05 -32.45 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.646 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 1.9 pp20? -67.72 -48.79 65.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.415 ' HG3' ' NH2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -63.15 -53.9 46.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 11.8 mmtt -57.84 -57.1 14.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -43.14 -63.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -20.87 45.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' LYS . 2.1 mm-40 -80.89 46.7 0.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.437 1.085 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 45.38 35.3 1.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -51.62 154.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -156.9 -60.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.235 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.47 75.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.4 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -142.4 -56.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.412 ' NE ' ' HE3' ' A' ' 28' ' ' LYS . 3.2 tpt180 -56.68 -38.84 72.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 7.7 p-10 41.66 47.13 3.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 41' ' ' ASP . 51.3 m -75.9 -84.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -46.46 -25.49 0.68 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' HD21 ' A' ' 40' ' ' LEU . 11.8 t0 -70.85 -55.85 7.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -50.55 -39.08 48.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -78.75 -27.79 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.627 1.204 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -36.76 78.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 46' ' ' LEU . 38.8 t -48.38 -46.25 36.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.399 1.062 . . . . 0.0 109.962 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.5 mt -39.3 -55.33 1.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.6 mttm 67.6 62.85 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -99.06 142.0 23.86 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.77 35.7 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.4 t -145.01 148.52 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.11 133.15 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.244 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.49 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -156.91 147.95 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.406 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -98.53 148.92 23.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.8 t -111.7 132.86 54.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.82 -173.12 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.21 134.37 27.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.88 -19.1 35.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 111.065 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.4 -7.74 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -127.32 6.55 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.7 tp -55.26 -44.44 75.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' A' ' 62' ' ' GLU . 7.6 p-10 -50.91 -49.15 60.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -73.81 -36.35 64.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -23.3 32.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 64' ' ' ILE . 0.9 OUTLIER -65.77 -48.23 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.538 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER -66.18 -35.16 79.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.538 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -73.72 -37.07 65.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.25 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.49 HD23 ' CG2' ' A' ' 52' ' ' ILE . 2.8 mt -72.33 -42.0 65.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -47.01 -43.02 19.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -25.09 32.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . 4.1 mm-40 -94.11 -40.58 9.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.324 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 72' ' ' ASN . 2.0 m -86.14 -67.13 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -39.09 -33.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.43 -59.64 5.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.01 7.28 18.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.3 -177.75 15.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.48 HG21 ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -96.36 158.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.244 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -40.45 99.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.607 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.44 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 2.3 t -134.59 139.51 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.9 pt -116.12 41.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.47 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 35.0 m-70 -89.55 166.42 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.612 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.481 ' CB ' HG13 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -119.98 167.69 11.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.2 t -55.03 -37.55 66.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.4 mt -61.42 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.449 ' N ' ' OD1' ' A' ' 81' ' ' ASP . 0.9 OUTLIER -73.2 -35.96 66.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 110.404 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.481 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.7 OUTLIER -60.04 -38.71 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.74 -47.53 84.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.569 ' CZ ' ' HA3' ' A' ' 5' ' ' GLY . 1.5 t80 -71.8 -49.34 39.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mp -57.84 -38.62 75.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.244 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 93' ' ' ALA . 77.5 mt -72.61 -51.14 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -38.53 -34.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.266 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -46.09 68.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.87 1.07 56.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -174.1 80.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 p -81.53 6.98 13.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.013 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -91.41 -84.91 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -98.38 104.53 16.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -116.89 172.16 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 p -97.5 147.14 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -116.21 -173.99 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.581 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.01 115.83 7.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.406 HG21 ' N ' ' A' ' 102' ' ' VAL . 6.5 p -108.36 149.4 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.228 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.406 ' N ' HG21 ' A' ' 101' ' ' VAL . 1.6 t -123.53 67.76 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.78 176.72 8.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -105.22 136.33 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.582 ' CD1' ' HG ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -144.5 135.05 24.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.556 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 29.2 mt-10 -100.35 146.16 27.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 117' ' ' ILE . 0.1 OUTLIER -136.92 146.09 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.41 161.68 31.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -155.7 158.43 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.784 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.7 p -109.01 -23.88 11.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.94 -52.3 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.64 -26.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.19 -75.59 0.76 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.87 137.2 36.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.225 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.468 ' CG2' HG23 ' A' ' 110' ' ' VAL . 0.7 OUTLIER -129.39 169.03 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.8 pp -131.99 140.21 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.556 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -133.07 153.53 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -173.09 122.25 0.39 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.582 ' HG ' ' CD1' ' A' ' 106' ' ' PHE . 3.9 mp -81.3 51.33 1.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.613 1.196 . . . . 0.0 109.368 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 120' ' ' LEU . 9.6 t-20 61.54 139.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 mtt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.506 0.193 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -176.41 149.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -102.43 137.99 39.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 169.47 -172.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 110.304 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.643 ' N ' ' CE2' ' A' ' 87' ' ' PHE . . . -110.45 -152.23 13.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.624 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 42.16 41.98 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 t -73.64 76.26 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.958 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 38.54 62.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -76.08 -78.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.29 -90.46 0.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.411 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 9.5 mt -80.22 6.03 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -39.84 -33.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -56.41 22.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.413 1.071 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.39 -30.13 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 110.333 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.49 ' CD1' ' OD1' ' A' ' 81' ' ' ASP . 7.4 mp -69.73 -47.6 62.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -36.9 71.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -73.77 -27.77 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.93 123.27 28.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' ASN . 1.0 OUTLIER 178.19 46.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -68.33 63.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' ARG . 74.4 m-20 54.42 23.13 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 t -96.53 -126.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -57.59 -70.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 39.35 57.13 2.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 40' ' ' LEU . 32.2 mt -74.6 -31.3 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.624 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 1.6 pp20? -67.42 -43.33 81.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -52.27 29.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -57.8 -56.11 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -46.73 -60.62 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -59.47 -18.11 36.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.32 45.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 46.47 35.54 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.452 ' HB ' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -57.04 161.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 5.5 tt0 -168.75 -50.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER 167.26 80.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 t -145.32 -70.76 0.27 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 1.123 . . . . 0.0 109.958 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -57.59 6.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.365 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 66.82 47.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.4 m -73.53 -86.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.408 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' A' ' 25' ' ' ILE . 1.4 pt? -46.22 -28.4 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -64.97 -57.74 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -53.87 -32.52 53.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -80.21 -25.45 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.55 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -68.07 -41.49 81.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.55 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.5 t -51.72 -42.42 62.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mt -39.9 -55.08 2.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 66.19 59.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.71 147.81 34.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.411 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 18.5 Cg_endo -74.88 149.07 36.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 111.069 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 49' ' ' PRO . 50.9 t -153.83 154.29 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.78 141.35 18.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.534 ' HB ' ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -157.9 147.64 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tt -96.34 149.13 22.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 106' ' ' PHE . 0.5 OUTLIER -116.9 131.86 56.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 108.293 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.5 -172.8 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 126.42 16.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.403 ' H ' ' CB ' ' A' ' 102' ' ' VAL . . . -47.38 -33.35 8.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.422 1.077 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.4 -19.39 9.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.491 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -115.6 10.67 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.389 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.462 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 6.0 tp -57.37 -41.72 80.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.448 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 6.1 p-10 -54.65 -48.87 71.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.3 tt0 -73.48 -39.96 64.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.491 ' CD1' HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -58.56 -27.78 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.541 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 9.3 mt -61.44 -49.9 82.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.517 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 2.7 pttt -63.64 -33.49 75.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.517 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.2 mmp_? -73.64 -33.73 64.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.534 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 25.1 mt -61.93 -49.14 77.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -46.4 -51.83 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -53.3 -22.6 7.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.388 1.055 . . . . 0.0 110.258 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.4 mm-40 -93.51 -42.25 9.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' GLU . 75.2 m -91.7 -65.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.0 t30 -39.29 -30.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.84 -53.51 56.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.5 pp20? -93.53 4.51 53.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -124.72 -170.55 13.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 2.8 mm -91.87 162.96 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 0.738 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.486 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 6.8 t-160 -53.64 99.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.661 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.94 138.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.5 pt -116.78 52.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 3.4 m-70 -87.82 168.31 13.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.49 ' OD1' ' CD1' ' A' ' 15' ' ' LEU . 70.3 m-20 -107.57 161.66 14.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.4 t -60.74 -30.23 69.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 mt -74.53 -34.58 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.417 HG21 ' CD1' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -77.46 -33.37 54.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.478 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 1.0 OUTLIER -59.93 -38.16 81.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.48 82.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.234 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.643 ' CE2' ' N ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -70.99 -46.75 61.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.946 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.699 ' CD2' ' CD2' ' A' ' 80' ' ' HIS . 5.6 mp -62.43 -50.12 72.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 93' ' ' ALA . 52.9 mt -62.06 -50.24 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -39.07 -35.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -67.82 -45.28 75.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.78 1.1 56.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -170.57 78.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.7 p -76.76 0.8 19.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -87.12 -96.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.86 108.95 20.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.54 171.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.5 p -93.11 148.54 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -122.4 -174.04 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.583 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.462 ' HD3' ' CD1' ' A' ' 60' ' ' LEU . 6.8 ppt_? -165.99 119.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.17 150.05 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.403 ' CB ' ' H ' ' A' ' 57' ' ' GLY . 14.3 p -111.41 82.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -177.26 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.94 176.98 8.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.3 139.26 39.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.559 ' CZ ' HD13 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -155.36 137.03 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 15.7 mt-10 -104.92 139.85 39.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -129.56 137.86 55.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.406 ' C ' HG13 ' A' ' 117' ' ' ILE . . . -151.55 166.61 30.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.41 ' CG2' HG23 ' A' ' 116' ' ' ILE . 0.7 OUTLIER -153.2 159.07 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.41 ' N ' HG11 ' A' ' 110' ' ' VAL . 21.3 p -112.49 -24.39 9.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -144.82 -52.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER 159.48 -26.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.95 -63.74 1.72 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.096 . . . . 0.0 110.955 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.75 127.71 33.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 0.736 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 117' ' ' ILE . 0.8 OUTLIER -118.59 169.66 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.281 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.415 ' N ' HD11 ' A' ' 116' ' ' ILE . 2.6 pp -132.55 140.57 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.592 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -126.38 153.14 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -169.12 116.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.559 HD13 ' CZ ' ' A' ' 106' ' ' PHE . 3.1 mp -81.12 51.2 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 120' ' ' LEU . 10.6 t-20 61.41 141.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.3 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.15 . . . . 0.0 109.952 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 mtm . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.513 0.196 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.9 -66.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.27 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.536 ' CD ' ' CZ3' ' A' ' 6' ' ' TRP . 1.3 tt0 -108.77 149.38 29.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.0 52.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.488 ' HA3' ' CD2' ' A' ' 87' ' ' PHE . . . -149.55 -70.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.461 1.101 . . . . 0.0 111.031 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.62 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -99.98 44.16 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.4 t -70.73 -53.77 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -175.29 68.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' CE ' HD12 ' A' ' 83' ' ' ILE . 9.3 tptt -84.93 -76.65 0.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -157.24 -82.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.9 mt -66.35 -8.35 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.97 -36.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -57.19 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -26.34 47.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.445 ' CD2' ' HA ' ' A' ' 80' ' ' HIS . 6.9 mp -77.91 -44.55 26.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -56.35 -30.86 63.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.393 1.058 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 3.6 m -77.01 -27.98 54.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.69 156.87 18.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' C ' ' N ' ' A' ' 21' ' ' ASN . 2.5 ptt180 -176.45 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.42 ' C ' ' N ' ' A' ' 22' ' ' VAL . 1.6 tp60 47.18 22.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' ARG . 6.4 m120 46.74 23.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.42 ' N ' ' C ' ' A' ' 20' ' ' GLN . 3.8 t -117.35 -20.38 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.49 ' CB ' ' NE2' ' A' ' 80' ' ' HIS . 21.7 m -146.89 16.49 1.23 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.565 1.166 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.99 59.31 0.36 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.3 mt -72.11 -32.55 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.62 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -73.42 -40.74 64.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -49.94 57.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.08 -57.03 14.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.447 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . . . -44.71 -55.7 5.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -21.41 66.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' LYS . 3.2 mm-40 -79.76 46.82 0.8 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 45.76 33.64 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -49.04 148.1 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.38 -51.62 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.607 1.192 . . . . 0.0 110.338 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -115.19 2.97 14.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.503 ' OG ' ' CD2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER 64.09 14.4 8.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.452 1.095 . . . . 0.0 110.027 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 49.77 28.88 2.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m120 52.79 29.99 8.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 m -73.86 -84.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.503 ' CD2' ' OG ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -45.48 -30.66 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.09 -57.37 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -51.26 -34.57 33.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.97 -22.52 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.514 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -68.16 -41.03 82.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.514 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.4 t -49.33 -43.16 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.5 mt -38.97 -55.28 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.61 53.17 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.8 p -86.08 144.94 39.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 150.96 39.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.458 ' C ' ' CD ' ' A' ' 51' ' ' ARG . 52.5 t -151.95 156.93 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.532 ' N ' ' CD ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -153.74 141.45 20.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.555 ' HB ' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -158.52 149.24 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.25 147.54 25.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.177 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.6 t -112.08 130.3 55.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 108.316 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mmm-85 -119.77 -173.46 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.8 128.72 24.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.68 -32.11 24.22 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.576 1.173 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.33 -16.87 50.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.787 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.425 ' O ' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -116.35 8.34 14.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.374 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 64' ' ' ILE . 7.2 tp -54.0 -42.27 68.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -54.1 -49.35 69.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 2.6 tt0 -73.53 -41.3 63.21 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -28.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.513 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 10.0 mt -62.03 -51.97 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.428 1.08 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.522 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -60.4 -33.98 73.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.522 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.3 mmt180 -73.39 -34.86 65.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.247 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.555 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 6.2 mt -60.72 -48.95 79.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.633 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -45.26 -50.98 11.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.86 -23.61 45.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.3 mm-40 -89.72 -42.24 11.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 75' ' ' GLY . 68.5 m -91.91 -62.79 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.633 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.3 t30 -39.72 -36.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -51.51 66.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.6 pt-20 -96.84 5.92 49.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.73 -169.58 12.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 4.0 mm -93.04 163.04 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.488 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -54.66 99.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.57 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.605 ' CG1' ' CD2' ' A' ' 80' ' ' HIS . 75.7 t -134.77 134.82 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.1 pt -108.19 48.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.605 ' CD2' ' CG1' ' A' ' 78' ' ' VAL . 6.8 m-70 -87.43 167.62 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.627 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.41 ' CG ' HD22 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -122.66 166.11 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t -54.98 -28.69 53.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.465 HD12 ' CE ' ' A' ' 9' ' ' LYS . 18.5 mt -69.52 -44.84 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.459 HG22 ' CD1' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -76.46 -33.19 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 80' ' ' HIS . 5.7 mp -60.16 -40.83 91.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.31 -43.8 96.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CD2' ' HA3' ' A' ' 5' ' ' GLY . 1.6 t80 -71.22 -51.16 26.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.534 ' CD2' ' CD2' ' A' ' 80' ' ' HIS . 5.4 mp -58.17 -49.25 77.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 93' ' ' ALA . 71.6 mt -61.85 -49.26 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.1 -35.88 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -74.6 -43.65 54.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -85.21 0.78 50.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -177.8 80.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 t -78.97 3.21 17.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.189 . . . . 0.0 110.035 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -87.1 -78.81 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.476 ' CB ' HG22 ' A' ' 116' ' ' ILE . 1.0 OUTLIER -106.14 110.7 23.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.422 1.076 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -116.03 172.48 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 99' ' ' HIS . 2.9 p -95.37 140.42 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.427 ' N ' HG23 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -106.21 -171.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.572 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -146.34 118.41 8.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.31 149.56 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.0 t -127.48 65.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.9 -43.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.0 t -129.99 176.31 8.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -101.66 136.5 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.383 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.569 ' CE1' HD13 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -148.61 135.21 19.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 60.2 mt-10 -104.65 145.08 30.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.461 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -139.4 140.91 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.08 165.05 33.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 111' ' ' THR . 0.5 OUTLIER -144.76 166.34 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.42 ' N ' HG13 ' A' ' 110' ' ' VAL . 82.7 p -114.93 -26.99 7.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.76 -50.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.329 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.494 ' OD1' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 159.26 -24.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.33 -75.23 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -78.71 153.04 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 0.713 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.476 HG22 ' CB ' ' A' ' 96' ' ' ARG . 1.2 pp -135.36 167.1 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 1.9 pp -132.48 140.33 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.552 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 15.0 p -133.69 154.44 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 118' ' ' VAL . 2.6 t70 -173.33 124.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 106' ' ' PHE . 3.4 mp -81.43 51.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.9 t30 61.38 140.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.509 0.195 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -172.98 156.32 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -121.09 146.34 46.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 176.96 161.26 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.592 ' HA3' ' CE1' ' A' ' 87' ' ' PHE . . . 70.28 152.83 0.86 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.578 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 39.19 48.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLN . 80.8 p -71.59 61.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.472 ' HA ' ' CB ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER 38.37 52.69 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -69.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -136.75 -89.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.8 mt -75.43 -0.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 8' ' ' GLN . . . -44.4 -38.79 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -57.68 10.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 18' ' ' THR . 0.3 OUTLIER -55.17 -34.74 64.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -61.9 -53.79 50.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.064 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -52.68 -35.87 56.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 m -77.64 -27.33 51.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 110.44 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -84.35 174.99 9.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.498 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 168.89 -43.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' C ' ' N ' ' A' ' 22' ' ' VAL . 0.7 OUTLIER 41.92 33.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 48.25 23.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.555 ' O ' ' CB ' ' A' ' 23' ' ' SER . 33.2 t -93.67 61.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 1.5 t 89.37 -38.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 34.53 52.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 63.3 mt -49.11 -23.86 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.578 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 18.4 mp0 -72.96 -57.89 3.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -62.76 -34.18 76.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 6.8 mmtm -65.56 -62.84 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.455 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . . . -47.17 -39.52 13.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -23.23 55.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -81.24 46.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 46.57 35.12 2.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -47.39 120.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -175.1 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -134.26 20.67 3.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.67 37.18 3.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 2.2 mtm180 -81.9 -149.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.253 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.558 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 7.9 t-20 86.89 1.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.467 ' CG2' ' HA ' ' A' ' 23' ' ' SER . 19.7 m -78.76 -87.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.09 . . . . 0.0 110.341 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.445 ' CD2' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -46.28 -24.88 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 39' ' ' THR . 22.6 t70 -73.94 -54.72 7.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -47.74 -39.87 18.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -78.26 -35.02 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG3' ' CG ' ' A' ' 92' ' ' LYS . 1.5 ttmt -52.67 -34.3 51.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' LEU . 46.6 t -48.87 -47.21 43.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.7 mt -39.7 -58.14 1.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 60.6 55.82 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.6 p -90.05 146.54 35.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.929 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.62 35.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.5 t -148.22 161.5 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -158.47 141.69 14.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.473 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -163.02 148.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.371 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.58 148.2 24.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.6 t -108.83 127.28 53.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 108.258 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.3 -173.63 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.23 128.35 24.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.36 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.68 -34.57 21.32 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -57.51 -20.22 29.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.404 ' O ' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -114.45 8.23 16.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.115 . . . . 0.0 110.439 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' O ' HG13 ' A' ' 64' ' ' ILE . 9.9 tp -52.41 -41.09 62.9 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -58.0 -47.69 82.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.348 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 4.1 tt0 -73.78 -41.53 62.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.56 -26.41 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.491 HD12 ' CB ' ' A' ' 81' ' ' ASP . 12.8 mt -64.97 -48.97 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.545 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -62.35 -34.1 76.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.545 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 8.9 mmt180 -75.49 -35.42 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD1' ' HB ' ' A' ' 52' ' ' ILE . 0.7 OUTLIER -71.28 -42.55 68.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -46.43 -44.43 17.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.25 -26.29 27.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 67' ' ' LEU . 8.1 mm-40 -94.57 -41.75 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -83.8 -66.27 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.5 t30 -40.43 -28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.412 1.07 . . . . 0.0 109.222 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -70.53 -52.8 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 71' ' ' SER . 69.5 mm-40 -73.31 -34.62 65.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 72' ' ' ASN . . . -103.18 -168.2 25.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 7.4 mm -91.8 162.34 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.465 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 3.8 t-160 -49.69 99.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.583 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.662 ' CG1' ' CD2' ' A' ' 80' ' ' HIS . 25.4 t -130.74 144.65 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.525 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -112.32 50.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.662 ' CD2' ' CG1' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -86.65 138.61 31.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.522 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.491 ' CB ' HD12 ' A' ' 64' ' ' ILE . 71.1 m-20 -88.63 162.68 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -27.75 38.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.8 mt -75.73 -35.69 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.493 HG21 ' CB ' ' A' ' 80' ' ' HIS . 1.0 OUTLIER -80.06 -33.95 38.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.426 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.535 HD11 ' CG ' ' A' ' 80' ' ' HIS . 4.0 mp -56.27 -43.37 78.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.52 97.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.592 ' CE1' ' HA3' ' A' ' 5' ' ' GLY . 2.6 t80 -71.7 -52.77 16.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.407 HD22 ' CG2' ' A' ' 84' ' ' THR . 4.7 mp -59.11 -36.58 75.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 93' ' ' ALA . 72.1 mt -73.4 -46.31 49.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 94' ' ' SER . 4.1 mtt180 -41.66 -41.27 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -40.94 96.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.19 0.79 56.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -175.77 81.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.373 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 90' ' ' ARG . 59.9 p -78.14 0.39 25.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -91.25 -80.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.594 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.439 ' CB ' HG23 ' A' ' 116' ' ' ILE . 9.4 mtt180 -100.42 109.87 22.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 110.221 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -117.36 171.78 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.4 p -95.66 122.71 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -84.92 175.24 9.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.574 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.09 100.49 3.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.147 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.1 p -106.73 149.54 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.5 p -123.84 86.37 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.25 -37.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.13 176.46 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -103.89 134.91 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.549 ' CE2' HD21 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -149.42 136.09 19.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 111.059 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.531 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 13.2 mt-10 -103.1 146.6 28.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' A' ' 117' ' ' ILE . 0.1 OUTLIER -138.67 143.02 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -152.23 163.08 30.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.488 HG21 ' CB ' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -153.19 162.09 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 0.769 . . . . 0.0 109.358 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 80.6 p -112.82 -25.86 8.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -147.23 -52.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.2 OUTLIER 163.04 -27.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.91 -73.68 1.02 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -78.77 136.64 37.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 0.778 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.488 ' CB ' HG21 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -131.35 171.51 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 1.0 OUTLIER -133.29 146.73 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.531 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.26 153.63 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -173.99 122.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.597 ' O ' ' CG ' ' A' ' 121' ' ' ASN . 4.7 mp -82.54 50.6 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.597 ' CG ' ' O ' ' A' ' 120' ' ' LEU . 6.8 p30 56.91 143.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.476 0.179 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.74 125.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 110.244 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.17 127.37 36.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.64 167.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 134.2 -144.71 16.74 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.409 1.068 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.618 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -99.88 48.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 p -83.94 -44.81 13.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 176.62 64.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -76.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -158.17 -78.3 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' ALA . 13.7 mt -66.37 -7.0 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.99 -37.95 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 11.6 ptp180 -57.15 -53.83 53.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 13' ' ' ARG . 2.6 tt0 -59.62 -30.1 68.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.29 -49.86 45.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -54.74 -34.74 62.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.8 m -78.83 -27.97 44.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -68.68 -170.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.531 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER 84.88 122.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.9 56.45 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.39 1.056 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 72.73 20.95 3.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.518 ' CG1' ' N ' ' A' ' 23' ' ' SER . 3.1 p -93.18 -146.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.359 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.518 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 9.0 p -49.12 -61.08 2.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 37.78 55.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 96.7 mt -51.8 -27.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.386 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.618 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 14.4 pt-20 -72.95 -50.68 22.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 19' ' ' ARG . 2.3 ttt85 -60.89 -43.44 98.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -63.61 -60.39 3.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.401 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . . . -47.68 -44.75 27.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.6 1.187 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 mmt -71.63 -20.62 61.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -80.27 46.28 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 46.66 33.93 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -50.49 126.0 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -177.85 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.337 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.58 42.21 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 m -140.91 -91.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 19.5 mtp180 50.22 -161.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 15.7 t30 82.23 -0.75 1.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.4 ' C ' ' N ' ' A' ' 41' ' ' ASP . 20.5 m -75.84 -90.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.426 ' CD2' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -43.89 -28.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.456 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 18.9 t70 -66.88 -57.0 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -52.98 -31.92 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -81.15 -27.63 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.608 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -67.06 -35.04 78.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.608 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 34.6 t -56.95 -42.4 80.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.084 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -38.35 -49.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.472 ' CE ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER 67.81 62.51 0.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 p -101.22 129.93 26.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 151.28 39.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -152.31 145.45 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 131.72 26.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.429 ' HB ' ' CD1' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -151.51 147.58 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.5 148.66 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.3 t -112.66 126.34 55.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.64 1.213 . . . . 0.0 108.307 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.61 -173.48 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -52.21 127.07 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.464 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -47.54 -25.21 3.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.92 -35.34 79.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.406 ' O ' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -100.11 8.46 43.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.369 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.453 HD13 ' CG ' ' A' ' 100' ' ' ARG . 10.0 tp -50.06 -40.42 45.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -58.17 -49.67 76.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -72.42 -41.2 66.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.451 HD13 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -54.99 -31.54 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.222 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.461 HD13 ' CB ' ' A' ' 81' ' ' ASP . 11.8 mt -63.08 -44.83 99.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.635 1.209 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -40.71 95.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -72.16 -35.1 68.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -64.29 -50.37 68.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -47.88 -44.24 29.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.07 -24.13 57.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.366 1.042 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' LEU . 5.8 mm-40 -93.09 -40.62 10.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' GLY . 65.7 m -87.61 -65.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.5 t30 -39.21 -35.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -52.42 65.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.216 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' SER . 15.8 pt-20 -93.76 6.42 48.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -127.0 -173.28 13.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.8 tp -92.42 162.75 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -47.55 99.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.98 138.45 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.0 pt -125.94 50.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -87.64 164.41 16.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.634 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.461 ' CB ' HD13 ' A' ' 64' ' ' ILE . 96.6 m-20 -98.06 172.82 7.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -29.3 66.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.425 HD11 ' NH2' ' A' ' 100' ' ' ARG . 8.6 mt -74.85 -33.69 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.418 HG21 ' CD1' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -74.98 -36.51 62.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.482 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 6.0 mp -58.4 -40.7 83.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.0 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.14 -51.09 26.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.462 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 5.6 mp -59.04 -49.84 76.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.62 ' O ' ' N ' ' A' ' 93' ' ' ALA . 54.4 mt -61.5 -51.62 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -38.47 -34.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -48.21 63.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -90.18 1.69 56.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.62 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -163.52 75.16 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.9 p -81.38 6.48 14.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.52 1.138 . . . . 0.0 110.048 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -95.27 -79.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.607 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.48 112.25 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -115.73 171.98 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.3 p -88.48 132.93 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -89.84 167.09 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.53 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.453 ' CG ' HD13 ' A' ' 60' ' ' LEU . 7.5 tmm_? -141.88 100.67 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.3 p -109.43 149.6 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.465 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 8.4 p -123.06 84.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -176.7 -38.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.23 176.55 8.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -103.06 136.98 41.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CZ ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.73 138.07 17.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.563 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 44.8 mt-10 -103.64 146.62 28.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 117' ' ' ILE . 0.1 OUTLIER -138.01 141.03 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.617 1.198 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.31 162.67 29.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.456 ' CG2' HG23 ' A' ' 116' ' ' ILE . 0.6 OUTLIER -148.87 161.4 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.9 p -115.13 -23.26 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 110.355 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.14 -50.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 3.8 m-20 158.04 -23.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.38 -72.43 1.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -80.04 139.3 36.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.456 HG23 ' CG2' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -128.22 168.12 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 1.0 OUTLIER -132.3 140.95 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.563 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -130.06 153.84 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -172.11 121.15 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.565 HD12 ' CZ ' ' A' ' 106' ' ' PHE . 4.8 mp -81.73 51.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.1 t-20 61.37 138.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 mmm . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.467 0.175 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.37 -32.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.08 126.33 31.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.58 -166.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.541 ' HA3' ' CD1' ' A' ' 87' ' ' PHE . . . 82.78 -73.89 2.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.611 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -101.31 45.17 0.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -60.9 2.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -170.12 58.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -75.74 -78.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -148.49 -82.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.419 HG23 ' CD1' ' A' ' 15' ' ' LEU . 12.3 mt -75.55 -0.13 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.25 -45.86 17.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -48.88 65.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.51 -26.67 68.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.448 ' N ' HD13 ' A' ' 15' ' ' LEU . 10.1 mp -81.08 -25.62 36.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.46 -42.21 65.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 t -71.0 -27.74 63.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.35 160.95 31.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.496 ' NH2' ' CB ' ' A' ' 27' ' ' ARG . 1.5 ttm-85 179.25 -59.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 22' ' ' VAL . 42.0 tp60 46.81 35.21 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 52.52 21.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 20' ' ' GLN . 87.8 t -71.74 -110.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.448 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 21.6 p -84.1 -40.3 18.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.497 ' O ' ' CG ' ' A' ' 28' ' ' LYS . . . 39.09 48.95 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 56.5 mt -74.23 -22.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.611 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 2.6 tt0 -74.0 -53.47 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.496 ' CB ' ' NH2' ' A' ' 19' ' ' ARG . 3.2 mmt180 -67.35 -45.79 75.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 10.6 mmtt -59.4 -57.96 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -47.23 -51.82 17.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -19.95 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -80.6 46.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 45.7 35.16 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.147 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -53.91 145.49 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -162.89 28.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.339 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 7.6 tttt 81.15 85.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m -155.37 -44.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -40.14 86.97 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 60.87 36.88 18.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.8 m -70.26 -88.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.439 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' CD2' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -44.92 -29.21 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.424 ' N ' HD23 ' A' ' 40' ' ' LEU . 23.2 t70 -63.47 -52.07 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 1.3 t80 -61.54 -30.08 70.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.1 t -80.65 -22.26 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.495 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -75.86 -41.42 52.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 33.3 t -60.4 -32.71 71.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.3 mt -38.06 -51.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' HD3' ' NH2' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 70.84 67.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.1 m -118.57 134.21 23.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.068 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.46 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 18.0 Cg_endo -75.0 156.03 42.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 49' ' ' PRO . 85.3 t -155.55 159.73 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -156.62 139.63 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.247 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.542 ' CG2' HD21 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -163.77 148.6 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 tt -99.88 141.21 33.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.413 ' SG ' ' CD1' ' A' ' 60' ' ' LEU . 10.9 t -114.06 139.38 49.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -119.56 -171.76 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 110.253 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -50.47 138.2 17.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.17 -21.29 1.74 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.447 1.092 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 59' ' ' THR . 2.4 t0 -66.57 -78.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.461 ' N ' ' OD2' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -60.19 -7.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.445 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' CD1' ' SG ' ' A' ' 54' ' ' CYS . 4.8 tp -47.85 -41.02 23.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 8.3 p-10 -53.96 -50.04 67.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.14 -35.37 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.44 ' CD1' HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -62.87 -24.1 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.237 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 61' ' ' ASP . 6.3 mt -64.65 -47.93 86.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 4.1 pttt -67.23 -33.87 76.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.513 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 4.3 mtp180 -74.33 -34.9 63.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.542 HD21 ' CG2' ' A' ' 52' ' ' ILE . 29.3 mt -71.63 -44.26 64.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -46.97 -44.61 20.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.58 -24.44 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.3 mm-40 -93.3 -42.37 9.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -85.74 -66.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.0 t30 -40.12 -30.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -58.32 -54.58 45.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -83.43 3.69 30.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.53 -173.2 13.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.413 1.071 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 6.2 mm -91.64 163.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.496 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 36.3 t-80 -48.8 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.633 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.584 HG13 ' CD2' ' A' ' 80' ' ' HIS . 12.7 t -135.66 144.54 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 pt -118.06 51.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.584 ' CD2' HG13 ' A' ' 78' ' ' VAL . 4.8 m-70 -87.23 166.77 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.63 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -117.13 163.29 16.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 m -58.54 -32.34 68.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.401 ' CG1' HD22 ' A' ' 60' ' ' LEU . 4.4 mt -69.87 -39.97 78.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.436 HG23 ' CD2' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -73.66 -35.12 65.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.368 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.431 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 5.4 mp -60.07 -37.93 81.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.91 -47.0 86.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.541 ' CD1' ' HA3' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -71.2 -50.09 36.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.436 ' CD2' HG23 ' A' ' 84' ' ' THR . 4.2 mp -56.63 -50.34 72.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.612 ' O ' ' N ' ' A' ' 93' ' ' ALA . 67.7 mt -60.45 -51.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.02 -34.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -46.9 64.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -90.0 0.63 57.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.612 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -167.15 77.62 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.1 t -80.3 5.08 15.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -88.29 -86.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.565 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.443 ' CB ' HG22 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -102.81 110.75 22.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 110.298 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -115.89 172.22 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.4 HG21 ' N ' ' A' ' 99' ' ' HIS . 2.1 p -94.8 146.76 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.4 ' N ' HG21 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -111.68 -170.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.612 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.4 121.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.3 p -129.8 148.61 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.413 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 12.9 p -96.45 84.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -162.46 -52.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 t -135.73 176.62 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -96.88 146.53 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CD1' ' HG ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.65 137.96 17.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.598 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 92.5 mt-10 -101.03 142.6 32.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.07 137.64 50.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.07 152.74 24.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.487 HG21 ' CG2' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -138.74 171.64 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.8 p -118.46 -28.74 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 110.479 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.69 -46.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 2.8 m-20 155.52 -21.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.48 -76.95 0.69 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.569 1.168 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 19.9 tt0 -78.63 153.51 31.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 110.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.487 ' CG2' HG21 ' A' ' 110' ' ' VAL . 2.8 pp -136.44 164.86 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.365 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.5 pt -134.48 140.49 45.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.598 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -132.67 153.62 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.234 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -172.15 120.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.565 ' HG ' ' CD1' ' A' ' 106' ' ' PHE . 3.2 mp -82.07 51.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 4.4 t30 61.38 141.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.48 0.181 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.6 ttm105 -171.51 -71.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.92 135.84 45.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 174.27 149.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.581 ' HA3' ' CZ ' ' A' ' 87' ' ' PHE . . . 73.42 161.17 6.57 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.725 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 41.48 41.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' GLN . 10.5 t -76.93 71.68 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 12' ' ' ALA . 1.8 mt-30 38.76 67.19 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -83.23 -76.17 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.84 -81.88 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.422 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 7.2 mt -88.33 13.66 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 8' ' ' GLN . . . -49.63 -39.63 36.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -54.59 -58.4 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -24.42 65.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 18' ' ' THR . 10.5 mp -71.29 -59.84 2.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -50.39 -33.19 19.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.7 m -70.87 -27.47 63.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.453 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.446 ' C ' ' CG ' ' A' ' 19' ' ' ARG . 1.3 t -84.63 169.5 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.446 ' CG ' ' C ' ' A' ' 18' ' ' THR . 0.0 OUTLIER 164.2 -40.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.441 ' C ' ' N ' ' A' ' 22' ' ' VAL . 5.1 tp60 48.22 23.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.242 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 42.1 27.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 33.9 t -123.66 4.91 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -156.46 -88.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 39.82 62.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.481 ' CD1' ' HG ' ' A' ' 88' ' ' LEU . 40.3 mt -69.99 -23.47 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.725 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -73.79 -39.94 63.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.1 mmt-85 -70.58 -53.87 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -57.07 -56.36 22.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -46.24 -61.63 1.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -58.75 -18.62 33.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.26 45.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.3 m120 45.96 35.49 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.389 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -55.32 165.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 5.7 pt-20 174.67 -39.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 1.1 tmtt? 163.1 87.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.3 m -147.72 -72.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.062 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 3.3 mpt_? -50.83 -67.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 1.3 t-20 82.94 31.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.1 m -73.87 -85.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.445 ' CD2' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -45.84 -27.97 0.98 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' N ' HD23 ' A' ' 40' ' ' LEU . 9.1 t70 -66.46 -55.79 14.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -54.0 -35.35 61.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.26 -25.59 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -33.79 73.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' LEU . 46.6 t -59.29 -39.11 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.3 mt -39.42 -49.51 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.378 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 68.24 64.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.34 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.9 p -105.37 140.41 21.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.447 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 18.2 Cg_endo -74.99 160.28 40.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 110.993 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 49' ' ' PRO . 67.3 t -155.27 148.41 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttp85 -146.38 137.88 24.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.277 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.521 ' CG2' HD22 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -156.12 147.64 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.46 ' N ' HD21 ' A' ' 67' ' ' LEU . 9.0 tt -95.47 149.09 21.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.62 136.79 52.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 108.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.95 -172.94 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -51.36 131.14 28.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -50.48 -20.44 3.76 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.085 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -72.35 -35.86 68.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 0.784 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.479 ' O ' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -102.05 10.0 39.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.2 tp -56.0 -40.85 73.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 62' ' ' GLU . 8.5 p-10 -56.39 -49.45 74.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -72.18 -42.05 66.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.44 HG22 HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -55.62 -35.15 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 81' ' ' ASP . 0.6 OUTLIER -61.74 -38.75 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -43.32 95.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.09 -34.02 68.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.521 HD22 ' CG2' ' A' ' 52' ' ' ILE . 25.8 mt -67.75 -45.68 74.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -46.05 -45.37 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.5 mm-40 -55.38 -24.92 32.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 67' ' ' LEU . 8.8 mm-40 -94.25 -42.08 9.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.44 ' C ' ' N ' ' A' ' 73' ' ' LYS . 66.4 m -84.35 -67.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.913 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 68' ' ' LEU . 4.0 t30 -39.74 -30.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -63.27 -56.1 19.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' SER . 10.7 pt-20 -83.73 0.99 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.58 -169.37 12.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.5 tp -91.86 154.21 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -51.92 99.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.583 HG11 ' CD2' ' A' ' 80' ' ' HIS . 83.2 t -134.24 144.19 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.5 pt -113.38 51.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.679 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 4.5 m-70 -88.96 167.58 13.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.49 ' HA ' ' CG1' ' A' ' 64' ' ' ILE . 0.9 OUTLIER -115.21 170.07 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.415 ' CB ' HD12 ' A' ' 64' ' ' ILE . 4.5 m -63.98 -32.38 73.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.1 mt -68.85 -38.1 78.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.48 -33.48 42.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.529 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -58.36 -35.52 72.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.24 92.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CZ ' ' HA3' ' A' ' 5' ' ' GLY . 1.5 t80 -70.79 -50.1 39.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.679 ' CD2' ' CD2' ' A' ' 80' ' ' HIS . 2.4 mp -60.71 -44.27 96.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.529 ' CG1' ' O ' ' A' ' 85' ' ' LEU . 4.3 mm -65.84 -46.08 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.402 ' NH1' HD12 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -42.86 -35.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 92' ' ' LYS . 0.4 OUTLIER -72.19 -36.93 69.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ILE . 2.3 mmtt -88.95 -6.41 57.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -171.68 79.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 90' ' ' ARG . 83.7 p -73.1 -2.59 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -85.67 -75.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.615 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.438 ' CB ' HG22 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -106.88 116.43 31.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.604 1.19 . . . . 0.0 110.261 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.402 HD12 ' NH1' ' A' ' 90' ' ' ARG . 0.8 OUTLIER -119.4 172.32 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.601 1.188 . . . . 0.0 109.271 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.5 p -86.42 149.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -152.83 166.44 32.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.461 ' NE ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -173.32 157.38 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 0.0 110.299 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.7 p -125.38 150.45 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.501 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 9.9 p -87.71 88.68 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.2 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.66 176.37 8.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -96.12 162.82 13.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -178.31 135.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.546 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 16.2 mt-10 -105.9 151.87 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.526 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -141.05 143.19 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -160.17 166.03 35.03 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 0.0 110.949 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.481 HG23 ' CG2' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -147.5 169.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.584 0.814 . . . . 0.0 109.334 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.2 p -115.51 -24.61 8.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -155.25 -45.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 158.03 -23.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.84 -71.88 1.24 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.453 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.3 OUTLIER -77.85 141.46 39.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 0.803 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.481 ' CG2' HG23 ' A' ' 110' ' ' VAL . 1.8 pp -128.84 161.7 37.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 2.7 pp -132.76 140.94 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -137.76 152.81 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.246 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.511 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 6.5 t0 -175.42 121.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 106' ' ' PHE . 2.2 pt? -97.42 39.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.37 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 120' ' ' LEU . 11.4 t-20 61.35 141.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.002 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.532 0.206 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -169.23 36.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -124.67 162.21 24.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.33 117.83 24.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 0.0 110.265 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.605 ' CA ' ' CE2' ' A' ' 87' ' ' PHE . . . 86.24 130.12 2.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.694 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 42.83 80.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 m -139.13 -51.88 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 0.0 109.963 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -139.8 49.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' CG ' HG21 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -79.27 -81.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -163.74 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.1 mt -82.78 11.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.16 -32.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -57.8 11.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -24.04 64.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.449 ' CD1' ' OD1' ' A' ' 81' ' ' ASP . 4.6 mp -74.23 -56.8 4.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -52.48 -29.11 23.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.466 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 10.3 m -81.87 -27.47 33.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.4 t -73.06 -174.4 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER 85.35 120.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.48 62.47 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.62 24.96 6.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.545 ' CG1' ' N ' ' A' ' 23' ' ' SER . 4.1 p -94.79 -143.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.545 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -41.68 -58.42 1.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.026 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 37.08 56.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.449 ' CG2' ' HG3' ' A' ' 91' ' ' GLU . 23.2 mt -65.02 -28.95 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.694 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -71.48 -40.56 70.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -44.57 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -64.12 -61.84 2.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . . . -44.75 -52.71 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.2 ttt -64.73 -24.11 67.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' LYS . 2.6 mt-10 -78.24 47.04 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.158 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m120 44.82 35.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -51.05 120.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.31 35.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -138.72 13.47 2.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m 60.48 69.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.946 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 2.2 tpm_? -43.06 -42.66 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 2.2 t30 82.59 10.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.08 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 m -74.55 -83.84 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 91' ' ' GLU . 2.5 pt? -45.59 -29.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.88 -57.12 9.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -52.5 -32.7 41.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.604 1.19 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -82.41 -23.36 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -69.07 -43.1 75.28 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 28.4 t -49.75 -42.21 45.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -38.11 -54.71 1.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 mttt 65.62 60.63 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.3 p -94.89 135.71 23.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 18.5 Cg_endo -75.04 151.08 38.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.403 HG11 ' N ' ' A' ' 51' ' ' ARG . 58.9 t -153.57 145.95 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.403 ' N ' HG11 ' A' ' 50' ' ' VAL . 28.9 ttt-85 -143.78 134.42 24.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.544 ' HB ' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -154.02 149.7 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.83 144.27 29.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.1 t -108.86 127.86 54.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 108.308 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.42 -173.77 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -52.51 128.2 25.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.239 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -50.26 -29.94 16.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.45 1.094 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.73 -21.04 60.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -113.17 6.94 17.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.431 ' CD1' ' HG3' ' A' ' 100' ' ' ARG . 7.4 tp -50.39 -41.79 52.52 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.57 1.169 . . . . 0.0 109.228 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.442 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -55.15 -49.99 70.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.441 1.088 . . . . 0.0 109.235 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.66 -37.62 65.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.482 HG23 ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -61.0 -25.3 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 61' ' ' ASP . 8.5 mt -63.62 -50.4 78.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 5.2 ptpt -64.71 -33.46 76.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 4.5 mmt85 -73.83 -34.34 64.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.266 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.544 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 23.9 mt -66.79 -50.5 62.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -46.92 -45.97 20.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.64 -23.47 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.1 mm-40 -92.65 -40.3 10.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 74' ' ' GLU . 11.5 m -89.18 -64.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 68' ' ' LEU . 13.5 t30 -38.8 -34.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -53.64 55.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' SER . 4.9 pt-20 -90.74 5.46 48.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 1.186 . . . . 0.0 110.354 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.33 -172.44 13.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.589 1.18 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.41 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 9.8 tp -91.87 161.01 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.39 98.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.588 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.452 HG11 ' CD2' ' A' ' 80' ' ' HIS . 2.3 t -135.37 136.77 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.491 ' CG1' ' OG1' ' A' ' 18' ' ' THR . 5.2 pt -121.34 45.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.452 ' CD2' HG11 ' A' ' 78' ' ' VAL . 77.6 m-70 -88.38 166.25 14.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.618 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.449 ' OD1' ' CD1' ' A' ' 15' ' ' LEU . 12.4 m-20 -104.58 168.37 9.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 109.334 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p -63.19 -29.6 70.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.066 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.474 HG21 ' CG ' ' A' ' 9' ' ' LYS . 11.4 mt -72.74 -40.65 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.416 HG21 ' CD1' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -71.52 -34.85 70.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.348 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.451 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 4.0 mp -60.17 -40.63 90.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.31 -44.0 92.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.605 ' CE2' ' CA ' ' A' ' 5' ' ' GLY . 1.3 t80 -71.35 -49.7 39.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.439 ' CD1' ' NE1' ' A' ' 6' ' ' TRP . 6.5 mp -59.48 -49.82 76.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' A' ' 93' ' ' ALA . 73.8 mt -62.5 -51.45 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.178 . . . . 0.0 109.387 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 89' ' ' ILE . 6.7 mtm180 -37.65 -34.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -68.81 -48.14 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.275 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 89' ' ' ILE . 1.2 ptmt -91.11 1.08 57.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.627 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -160.57 73.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.0 p -79.58 3.29 19.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -91.66 -88.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.135 . . . . 0.0 109.575 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 114' ' ' GLY . 6.8 mtp180 -98.85 110.54 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -117.84 172.09 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.6 p -95.4 129.53 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -88.37 -174.84 4.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.637 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.431 ' HG3' ' CD1' ' A' ' 60' ' ' LEU . 7.3 tmm_? -152.4 100.68 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.4 p -105.71 149.63 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.409 ' CG2' ' N ' ' A' ' 57' ' ' GLY . 14.7 p -125.11 87.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.98 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 t -135.39 176.63 8.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.952 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -98.6 138.58 35.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.554 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -153.86 137.66 16.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.561 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 48.9 mt-10 -104.78 146.14 29.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.466 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -140.47 140.2 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.04 167.0 33.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.478 HG21 ' CG2' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -147.26 168.16 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.8 p -116.77 -26.72 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.447 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.41 -49.47 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.234 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 157.25 -22.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.51 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -76.07 -72.55 1.07 Allowed Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.47 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 19.4 tp10 -78.81 154.8 29.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 0.73 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.478 ' CG2' HG21 ' A' ' 110' ' ' VAL . 2.2 pp -136.85 162.04 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.5 140.3 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.238 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.561 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.83 153.69 30.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -172.85 124.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.554 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.6 mp -84.21 50.22 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 3.9 t-20 61.21 141.56 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.956 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.562 0.22 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 179.5 -74.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.04 162.32 13.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -98.66 78.65 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.527 ' HA3' ' CD1' ' A' ' 87' ' ' PHE . . . 42.42 -126.6 4.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.604 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -36.02 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 t 55.93 -84.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.068 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' TRP . 0.5 OUTLIER -160.76 69.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 tptt -83.58 -80.35 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -139.8 -76.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.4 mt -77.66 1.53 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.39 -35.27 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -56.43 21.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.328 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.18 -30.67 62.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' N ' HD13 ' A' ' 15' ' ' LEU . 11.1 mp -71.63 -48.39 48.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -34.01 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.0 m -74.84 -28.73 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.14 134.46 36.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 173.72 60.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -69.23 60.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.4 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 11.9 t30 44.46 28.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 23' ' ' SER . 1.9 t -165.12 124.23 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER 83.53 2.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.55 59.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.449 ' CD1' ' HG ' ' A' ' 88' ' ' LEU . 6.1 mt -65.52 -27.15 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.604 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 59.5 mt-10 -71.56 -48.51 48.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -51.34 51.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' C ' ' CD1' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -52.66 -51.67 59.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.44 -51.46 69.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -14.8 40.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.71 45.69 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 46.01 34.53 2.04 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CD1' ' C ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -58.11 167.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 109.233 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' N ' HG22 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -124.03 -61.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.221 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.59 46.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.3 t -122.75 -71.02 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 56.3 mtm-85 62.46 -80.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 5.4 t-20 83.02 -4.69 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.7 m -76.9 -87.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.46 HD22 ' CB ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -44.91 -28.1 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.94 -56.43 9.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -52.78 -31.42 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -83.11 -26.63 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -65.18 -44.38 88.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 109.218 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.4 t -47.1 -45.63 22.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -39.05 -55.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.36 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 61.03 54.13 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -91.21 150.87 42.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.057 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.407 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 18.3 Cg_endo -75.01 147.69 34.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 49' ' ' PRO . 60.2 t -153.67 160.76 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -160.72 134.07 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.514 ' CG2' HD22 ' A' ' 67' ' ' LEU . 1.1 pt -154.0 148.05 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 106' ' ' PHE . 2.0 tp -100.15 148.17 24.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.4 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 2.4 t -107.79 130.21 54.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 108.265 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.426 ' HG3' ' CG1' ' A' ' 63' ' ' ILE . 3.8 mmm180 -113.87 -173.19 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -52.1 128.41 24.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.78 -26.31 32.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.06 -29.97 70.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 0.731 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.54 7.57 32.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 64' ' ' ILE . 11.5 tp -49.33 -41.18 37.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 6.9 p-10 -55.17 -49.48 71.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.39 -38.79 63.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.224 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.426 ' CG1' ' HG3' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -59.35 -26.02 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 61' ' ' ASP . 9.1 mt -63.48 -49.28 83.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -66.08 -33.63 76.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.468 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -73.43 -34.95 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.376 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.514 HD22 ' CG2' ' A' ' 52' ' ' ILE . 8.9 mt -68.89 -49.01 61.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -47.58 -44.49 26.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.22 -24.6 28.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -93.86 -41.16 9.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' GLU . 69.9 m -86.08 -67.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.042 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.3 t30 -39.82 -30.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.54 -53.64 55.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.9 pp20? -91.45 6.9 43.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.4 -169.61 12.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.4 tp -91.8 163.49 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.561 0.801 . . . . 0.0 109.278 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.68 99.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.647 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.93 138.99 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 pt -114.64 48.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.629 1.206 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.562 ' CE1' ' CD2' ' A' ' 88' ' ' LEU . 63.1 m170 -87.49 167.16 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.64 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -110.91 172.09 7.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -66.61 -31.58 72.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.9 mt -71.12 -35.3 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.64 -33.71 53.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.434 ' O ' ' HB ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -59.22 -40.3 85.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.53 98.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.527 ' CD1' ' HA3' ' A' ' 5' ' ' GLY . 0.4 OUTLIER -71.41 -51.97 21.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.562 ' CD2' ' CE1' ' A' ' 80' ' ' HIS . 4.1 mp -57.86 -50.28 73.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.611 ' O ' ' N ' ' A' ' 93' ' ' ALA . 97.6 mt -62.47 -48.94 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.386 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.6 mtm-85 -39.3 -35.48 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.01 -43.71 52.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -85.46 -1.4 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.611 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -179.14 84.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.3 t -69.33 -6.99 33.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -71.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.632 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.445 ' HG3' ' CB ' ' A' ' 93' ' ' ALA . 0.1 OUTLIER -78.72 104.57 9.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.7 mt -128.64 162.1 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.03 116.16 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -83.37 -174.06 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.567 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.42 109.58 1.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.247 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.7 p -107.2 149.45 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 11.8 p -119.59 86.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -176.65 -42.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 t -135.89 176.71 8.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.78 142.57 27.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.513 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 7.7 t80 -141.04 166.13 25.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.697 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -137.16 143.54 42.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.6 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -148.76 134.28 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.94 163.88 36.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -141.98 171.61 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.405 ' N ' HG11 ' A' ' 110' ' ' VAL . 49.4 p -117.66 -29.58 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.95 -47.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.6 OUTLIER 157.62 -21.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.87 -71.74 1.17 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.3 pt-20 -77.86 154.83 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.617 0.834 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.408 ' HA ' HG23 ' A' ' 110' ' ' VAL . 2.6 pp -139.08 159.5 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 18.0 pt -129.75 140.59 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.697 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -146.34 153.95 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.439 ' O ' ' HA ' ' A' ' 106' ' ' PHE . 1.8 t70 -161.22 176.08 11.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 121' ' ' ASN . 0.1 OUTLIER -113.0 1.63 15.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 120' ' ' LEU . 28.2 t-20 37.91 44.27 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.515 0.198 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.13 82.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -124.35 146.79 48.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.23 -167.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.38 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.581 ' HA2' ' CD2' ' A' ' 87' ' ' PHE . . . 106.61 86.14 1.85 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.091 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.633 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 42.57 69.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.59 -47.03 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.48 51.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -71.56 -77.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' CE ' ' HB3' ' A' ' 61' ' ' ASP . 3.9 ttmm -151.23 -86.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' ALA . 7.6 mt -76.66 6.27 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.81 -34.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 11' ' ' ILE . 1.9 mmm180 -58.3 -57.49 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -59.11 -25.8 64.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.484 ' O ' ' CG2' ' A' ' 18' ' ' THR . 7.9 mp -72.19 -54.72 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 tptm -53.02 -32.13 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -71.29 -27.43 63.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.546 ' CG2' ' N ' ' A' ' 19' ' ' ARG . 4.3 t -80.66 -150.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.546 ' N ' ' CG2' ' A' ' 18' ' ' THR . 0.8 OUTLIER 79.92 49.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -66.94 70.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' ARG . 12.9 t30 51.58 31.72 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 23' ' ' SER . 2.2 t -156.28 122.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.243 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 3.4 p 83.49 15.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.014 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.509 ' HA ' ' CG ' ' A' ' 19' ' ' ARG . . . -77.81 63.75 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.428 HD11 ' CA ' ' A' ' 88' ' ' LEU . 52.4 mt -78.68 -14.08 13.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.633 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 4.0 pm0 -76.65 -44.39 34.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.324 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.434 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -79.14 -37.63 38.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -66.14 -52.98 43.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.44 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . . . -59.56 -51.25 70.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -24.77 63.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -74.44 47.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 42.19 34.8 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.461 ' HB ' ' O ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -50.94 -28.68 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.74 59.85 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 36' ' ' SER . 1.1 mttp -156.6 27.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.223 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 1.2 t 86.57 86.32 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.556 1.16 . . . . 0.0 110.043 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -135.85 -71.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 52.54 52.96 13.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.369 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.408 ' C ' ' N ' ' A' ' 41' ' ' ASP . 51.8 m -79.47 -86.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.457 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -45.37 -25.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 39' ' ' THR . 9.6 t70 -74.0 -55.01 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.399 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -47.4 -35.8 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.505 ' CG2' HD11 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -81.21 -37.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -49.59 -40.06 37.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 31.7 t -55.41 -18.14 6.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.536 ' O ' ' CB ' ' A' ' 47' ' ' LYS . 8.5 mt -41.86 -34.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 46' ' ' LEU . 9.8 ttpt 90.51 77.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 109.355 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.58 110.2 37.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.968 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 151.59 39.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.7 t -153.14 161.14 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -161.02 135.31 7.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.523 ' HB ' ' CD2' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -154.95 148.59 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.51 147.08 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.3 t -107.52 135.0 49.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.313 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -117.87 -174.47 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.416 ' CG ' ' HB ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -53.7 127.32 25.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.51 -31.24 14.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.85 -23.77 61.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.416 ' HB ' ' CG ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -111.55 8.04 20.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 tp -49.53 -41.21 40.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' HB3' ' CE ' ' A' ' 10' ' ' LYS . 8.2 p-10 -56.21 -50.24 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -41.19 65.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.373 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -31.24 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.3 mt -61.29 -47.51 93.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -61.1 -37.07 81.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.0 65.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.239 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.523 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 27.6 mt -63.44 -51.61 64.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -47.66 -47.02 29.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' N ' HD11 ' A' ' 68' ' ' LEU . 3.4 mm-40 -60.28 -22.1 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.6 mm-40 -93.32 -40.99 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 74' ' ' GLU . 12.7 m -88.9 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 68' ' ' LEU . 6.6 t-20 -39.51 -33.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.67 -51.17 68.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.5 pm0 -98.47 8.84 44.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.16 -169.79 12.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 7.2 mm -91.75 162.64 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 109.354 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.473 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -53.18 96.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.613 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.72 143.92 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.482 ' CG1' ' HB ' ' A' ' 18' ' ' THR . 4.9 pt -125.79 52.96 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 9.2 m-70 -86.92 167.42 14.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.612 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -107.45 163.7 12.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.9 t -59.27 -31.94 69.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.083 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.5 mt -70.83 -36.96 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.446 HG21 ' CD1' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -78.88 -29.94 44.7 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.431 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 6.1 mp -61.88 -41.58 98.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.31 97.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CD2' ' HA2' ' A' ' 5' ' ' GLY . 2.0 t80 -71.38 -50.61 30.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.167 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.699 ' CD2' ' CD2' ' A' ' 80' ' ' HIS . 6.3 mp -58.85 -49.13 78.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 92' ' ' LYS . 79.4 mt -62.59 -49.55 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 94' ' ' SER . 7.1 mtp180 -38.95 -35.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -44.26 70.91 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.57 1.169 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -87.87 -0.39 56.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.302 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -175.65 80.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.38 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 90' ' ' ARG . 32.3 p -79.96 3.51 19.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.059 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -89.17 -81.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.545 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -99.17 104.63 16.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -115.46 171.52 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 p -95.38 147.47 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.358 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.34 -168.87 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.618 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 5.0 ppt_? -154.35 106.98 2.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 p -107.25 149.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.5 p -128.93 85.53 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.21 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.82 176.51 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.929 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.84 134.53 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.44 174.16 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 111.057 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 37.0 mt-10 -154.92 144.84 21.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.487 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.1 OUTLIER -141.06 144.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.76 166.21 33.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.078 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -151.97 170.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.507 0.769 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.3 p -115.5 -27.28 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -153.16 -44.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.464 ' OD1' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 159.04 -22.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.93 -75.52 0.95 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.438 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.0 OUTLIER -81.71 141.67 33.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 110.282 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.406 ' CB ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -133.75 170.84 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.8 pp -131.77 141.41 45.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 14.6 p -130.2 156.72 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -162.46 162.09 27.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.226 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -105.18 8.68 34.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 120' ' ' LEU . 26.2 t-20 39.3 43.77 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.977 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.514 0.197 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -134.54 154.22 51.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -110.51 145.7 37.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 151.65 2.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.624 ' CA ' ' CE2' ' A' ' 87' ' ' PHE . . . 102.67 116.24 4.14 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.639 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 41.14 39.42 0.9 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.11 76.3 9.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.155 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 38.66 60.89 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -74.44 -77.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -133.4 -92.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 12' ' ' ALA . 8.7 mt -76.0 3.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.73 -34.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -57.45 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -61.99 -22.82 65.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.185 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.51 ' CD1' ' OD2' ' A' ' 81' ' ' ASP . 10.4 mp -76.7 -40.69 47.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -65.55 -32.72 74.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -70.73 -28.49 64.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.414 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.609 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 3.0 t -82.65 -150.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.344 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.609 ' CG ' ' O ' ' A' ' 18' ' ' THR . 2.5 ptt180 92.34 -24.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 22' ' ' VAL . 1.4 tp60 35.01 46.68 0.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.7 m-20 36.28 32.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 3.0 t -116.22 0.88 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.7 t -148.97 -88.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.061 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 47.02 60.31 3.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 96.3 mt -65.67 -21.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.639 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -73.99 -39.86 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.178 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -54.6 11.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 4.5 mmtm -56.77 -55.65 31.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -47.46 -63.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -17.24 10.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 111.043 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.35 45.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 45.88 35.74 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -56.13 161.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.72 -59.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.296 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tttt 172.26 77.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' ARG . 50.0 m -145.5 -65.5 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.96 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -38.74 -66.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 5.2 t30 83.28 29.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.6 m -75.75 -75.32 0.18 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.52 HD13 ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -55.01 -17.3 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.52 ' N ' HD13 ' A' ' 40' ' ' LEU . 8.5 t70 -76.56 -57.91 3.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -51.88 -36.82 49.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.66 -30.73 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -50.71 -48.93 58.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -41.67 -30.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.2 mt -87.82 40.64 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -55.53 -54.16 47.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER 51.83 173.33 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 110.048 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.2 Cg_endo -75.02 117.68 4.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.44 146.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -160.5 135.45 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -142.95 147.64 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.6 tt -94.59 147.36 23.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.04 128.61 56.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 1.083 . . . . 0.0 108.287 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.57 -173.88 2.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.5 128.88 27.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.81 -25.38 7.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.095 . . . . 0.0 110.971 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.91 -26.35 65.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 0.811 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.461 ' O ' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -106.28 7.95 31.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 64' ' ' ILE . 7.1 tp -51.95 -42.79 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 62' ' ' GLU . 2.9 p30 -54.5 -47.72 72.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -73.64 -40.78 63.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.431 HD13 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -60.15 -26.58 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.51 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 7.1 mt -62.35 -51.73 68.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -61.31 -34.37 75.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.512 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 5.9 mmt180 -72.79 -34.34 66.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.232 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -60.75 -50.8 72.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -46.61 -50.86 16.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -50.27 -24.41 2.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.28 -42.23 9.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -88.02 -65.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.026 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' A' ' 68' ' ' LEU . 1.8 t30 -39.49 -30.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.201 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -61.26 -55.18 34.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.7 pp20? -92.18 4.01 54.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -123.08 -173.07 13.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 9.0 tp -91.92 157.95 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.92 98.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.626 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.576 HG11 ' CD2' ' A' ' 80' ' ' HIS . 2.1 t -135.17 140.94 44.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.407 ' CG1' ' HB ' ' A' ' 18' ' ' THR . 23.6 pt -115.69 50.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.576 ' CD2' HG11 ' A' ' 78' ' ' VAL . 52.2 m170 -87.05 161.26 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.597 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.51 ' OD2' ' CD1' ' A' ' 15' ' ' LEU . 3.5 m-20 -111.89 162.52 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -33.1 68.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 39.6 mt -68.3 -40.65 82.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.421 HG23 ' CD2' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -77.94 -34.16 51.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.513 ' CD1' ' CB ' ' A' ' 80' ' ' HIS . 5.2 mp -59.77 -41.37 90.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.56 80.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.624 ' CE2' ' CA ' ' A' ' 5' ' ' GLY . 2.1 t80 -71.24 -50.69 30.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.432 ' CD1' ' NE1' ' A' ' 6' ' ' TRP . 6.3 mp -56.66 -37.41 70.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 93' ' ' ALA . 6.6 mm -73.46 -50.36 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -39.32 -35.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.438 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 1.8 mm-40 -69.03 -45.13 71.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.366 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.21 0.88 56.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -175.18 81.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.6 p -79.53 3.89 17.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -90.27 -86.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.666 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.429 ' CD ' HG21 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -93.19 104.15 16.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 110.265 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.4 mp -111.87 171.17 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.9 p -100.7 149.26 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -124.13 -171.81 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.603 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.409 ' NE ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -148.12 135.75 20.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.2 p -117.62 149.55 19.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 1.5 t -124.01 65.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.76 -43.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.163 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.7 t -132.85 176.35 8.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.52 135.17 33.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -131.67 170.36 14.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 45.8 mt-10 -152.17 142.61 22.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.526 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -142.39 141.04 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.419 ' N ' HD13 ' A' ' 117' ' ' ILE . . . -155.3 162.6 31.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.492 HG21 ' CG2' ' A' ' 116' ' ' ILE . 0.6 OUTLIER -153.29 160.76 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 78.9 p -113.79 -24.15 9.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.507 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -145.77 -52.01 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 2.0 t0 155.55 -23.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.357 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.9 -66.97 1.65 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.583 1.177 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.55 122.67 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.271 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.492 ' CG2' HG21 ' A' ' 110' ' ' VAL . 0.8 OUTLIER -116.76 169.12 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.419 HD13 ' N ' ' A' ' 109' ' ' GLY . 2.7 pp -132.16 141.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -131.19 153.87 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.73 166.85 26.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 121' ' ' ASN . 0.1 OUTLIER -112.93 3.55 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 120' ' ' LEU . 6.9 t-20 60.86 141.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.061 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.506 0.193 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.42 -169.88 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.55 143.68 43.31 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.496 ' NH2' ' NH2' ' A' ' 90' ' ' ARG . 28.4 ptt-85 175.67 155.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.596 ' HA2' ' CE2' ' A' ' 87' ' ' PHE . . . -171.57 -170.6 35.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.423 1.077 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.71 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -92.91 55.7 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.0 m -142.21 22.12 2.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.09 35.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -97.98 -89.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.95 -79.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mt -76.79 1.41 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.26 -35.28 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 -54.93 -57.36 11.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -57.89 -39.57 78.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.479 HD21 ' CG2' ' A' ' 84' ' ' THR . 0.2 OUTLIER -62.05 -41.42 98.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -58.89 -43.01 90.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -27.77 68.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -93.65 125.76 38.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.482 ' CB ' ' O ' ' A' ' 18' ' ' THR . 4.4 mtt180 159.09 50.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -69.4 58.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 75.8 m-20 57.07 28.06 14.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 39.2 t -98.68 9.83 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER 171.65 -64.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.987 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 39.54 57.56 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.503 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 94.7 mt -75.83 -27.52 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.71 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 1.9 pp20? -65.78 -46.59 78.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.429 ' CG ' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -71.93 -52.3 17.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.575 ' NZ ' ' H ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -55.12 -44.06 74.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -59.95 -60.7 3.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -10.83 9.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.73 46.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 51.21 30.39 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.472 HD11 ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -52.92 159.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -173.51 -46.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 110.349 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER 166.49 76.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.437 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 70.0 m -135.88 -77.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.984 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.537 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -49.01 -79.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 110.259 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 5.5 m-20 84.63 45.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.575 ' H ' ' NZ ' ' A' ' 28' ' ' LYS . 89.2 m -75.64 -81.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.442 ' CD2' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -46.19 -28.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.415 ' N ' HD21 ' A' ' 40' ' ' LEU . 7.5 t70 -66.86 -56.49 10.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -50.57 -34.71 26.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 111.052 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -83.04 -22.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -65.87 -41.59 91.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 46.6 t -45.73 -44.95 14.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -37.54 -49.3 1.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.4 mttt 67.55 64.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.67 137.35 32.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 138.84 23.61 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.58 149.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.69 131.74 18.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 110.341 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.441 ' CG2' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -153.85 148.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.403 ' O ' HD21 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -98.91 148.46 23.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.412 ' CB ' HD13 ' A' ' 108' ' ' ILE . 2.6 t -111.51 124.58 52.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 108.247 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -112.63 -172.79 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.7 128.44 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.427 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -48.89 -33.94 14.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.57 -35.02 73.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -98.41 7.68 45.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.396 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.18 -42.42 77.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.466 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 4.7 p-10 -53.77 -48.27 69.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.2 -39.98 62.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.87 -24.29 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.478 HD11 ' CB ' ' A' ' 81' ' ' ASP . 8.7 mt -64.38 -49.32 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.189 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER -65.72 -34.64 78.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.364 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 2.7 mmt180 -72.86 -35.19 67.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.441 HD22 ' CG2' ' A' ' 52' ' ' ILE . 1.1 mt -72.29 -44.39 62.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -47.22 -46.12 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.6 mt-10 -55.06 -23.66 21.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.1 mm-40 -93.29 -40.82 10.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 73' ' ' LYS . 54.7 m -89.46 -66.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.967 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -39.73 -29.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -56.88 -53.44 57.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.2 pp20? -86.01 3.86 40.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.61 -172.78 14.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -90.89 163.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.806 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.446 ' N ' HD12 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -53.76 97.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.585 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 80' ' ' HIS . 47.4 t -136.63 145.75 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.533 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -110.83 49.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.596 ' CD2' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -85.72 153.53 22.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.478 ' CB ' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -112.92 167.18 10.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.416 1.072 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 56.7 m -53.81 -25.81 21.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.029 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.8 mt -73.71 -45.1 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.479 ' CG2' HD21 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -78.48 -32.29 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.362 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.596 HD12 ' CD2' ' A' ' 80' ' ' HIS . 1.7 mp -57.72 -44.82 86.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.28 86.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.596 ' CE2' ' HA2' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -72.51 -50.27 27.05 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.558 1.161 . . . . 0.0 110.963 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.403 ' CD1' HG23 ' A' ' 84' ' ' THR . 6.7 mp -64.66 -37.16 86.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 92' ' ' LYS . 51.9 mt -71.77 -49.46 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.496 ' NH2' ' NH2' ' A' ' 4' ' ' ARG . 5.8 mtt180 -39.36 -39.96 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.456 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 2.6 mm-40 -63.93 -43.68 95.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ILE . 2.3 ptmt -88.59 -0.99 57.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -169.2 79.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' ARG . 11.5 p -76.67 -0.45 23.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -84.77 -94.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -95.18 114.02 25.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.255 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -119.33 172.6 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.37 131.2 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.409 ' CG ' ' H ' ' A' ' 100' ' ' ARG . 4.2 t-160 -102.6 -176.57 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.622 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -148.01 110.75 4.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.3 p -106.52 150.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.7 p -121.09 87.21 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.25 -42.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.5 p -135.57 176.33 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -95.48 134.04 38.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.234 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.554 ' CD2' HD23 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -145.28 134.98 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 43.8 mt-10 -106.69 144.62 33.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 108' ' ' ILE . 0.2 OUTLIER -136.59 137.42 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -150.89 150.33 22.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.462 ' CG2' HG23 ' A' ' 116' ' ' ILE . 0.8 OUTLIER -141.21 158.24 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.1 p -116.04 -21.32 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.349 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -142.41 -54.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 6.1 m-20 154.02 -23.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.18 -68.87 1.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.88 135.32 33.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 0.794 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.478 ' CD1' ' N ' ' A' ' 117' ' ' ILE . 0.6 OUTLIER -124.33 172.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.478 ' N ' ' CD1' ' A' ' 116' ' ' ILE . 1.5 pt -133.12 140.34 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.592 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 17.9 m -124.16 153.4 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -168.65 113.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.554 HD23 ' CD2' ' A' ' 106' ' ' PHE . 1.8 mp -82.84 50.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' LEU . 51.4 t-20 39.65 43.66 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 mtt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.509 0.195 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.4 ' O ' ' OE2' ' A' ' 3' ' ' GLU . 28.1 ptt180 -97.6 172.82 7.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 2' ' ' ARG . 0.4 OUTLIER -123.51 160.84 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.446 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.6 OUTLIER 176.22 70.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.572 ' HA3' ' CD1' ' A' ' 87' ' ' PHE . . . -151.09 -60.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.644 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -96.25 44.07 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.36 67.28 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 50.77 56.32 8.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.22 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -73.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -136.02 -85.56 0.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.6 mt -84.33 13.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.04 -32.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -57.21 -58.33 8.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 3.0 mt-10 -59.91 -28.55 67.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 18' ' ' THR . 7.2 mp -69.82 -47.09 64.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -57.57 -37.24 72.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 m -67.69 -28.83 68.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -88.94 127.09 35.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.364 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 21' ' ' ASN . 6.4 ttp-105 176.38 37.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.45 71.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' ARG . 51.4 m-80 53.48 32.81 14.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.546 ' CG1' ' N ' ' A' ' 23' ' ' SER . 2.6 p -94.77 -147.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.546 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 3.6 m -43.1 -55.45 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.445 ' HB2' ' CD ' ' A' ' 19' ' ' ARG . . . 38.27 44.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.459 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 98.0 mt -71.45 -20.25 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.644 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 11.0 pt-20 -73.15 -52.38 14.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -65.67 -45.7 81.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.81 -60.39 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -44.74 -57.31 3.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -21.64 64.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 28' ' ' LYS . 2.5 mm-40 -80.7 46.56 0.88 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 45.16 34.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -51.85 154.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -169.33 -61.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.372 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -176.06 80.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 m -151.17 -79.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.032 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -39.92 -57.59 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 67.28 46.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 41' ' ' ASP . 18.7 m -74.5 -84.07 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 ' CD2' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -46.73 -26.78 1.01 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.587 1.179 . . . . 0.0 109.268 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.409 ' N ' HD21 ' A' ' 40' ' ' LEU . 8.9 t70 -68.26 -56.26 9.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -52.11 -36.92 52.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -80.21 -24.45 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -36.62 82.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' LEU . 48.4 t -52.56 -43.37 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -38.28 -56.19 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER 66.37 61.61 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 m -103.65 141.25 22.11 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.481 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 18.2 Cg_endo -75.03 160.07 40.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 49' ' ' PRO . 70.1 t -156.09 160.0 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.206 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -155.62 130.3 9.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' A' ' 67' ' ' LEU . 4.9 pt -148.23 148.3 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.401 ' O ' HD21 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -102.57 142.74 33.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.1 t -109.63 134.42 51.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.241 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -118.32 -172.95 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -51.47 127.62 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.424 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -48.37 -29.93 7.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.12 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.31 -27.92 66.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 0.813 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.71 8.67 29.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.2 tp -50.4 -41.27 51.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -56.96 -49.68 74.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -72.53 -40.55 66.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.251 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.436 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.1 -33.16 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.2 mt -59.75 -45.42 94.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.62 -37.81 87.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -35.35 66.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 70' ' ' GLU . 11.3 mt -63.57 -51.33 65.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -47.71 -45.87 29.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.71 -23.4 51.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' LEU . 5.9 mm-40 -93.19 -41.24 10.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 74' ' ' GLU . 68.2 m -87.3 -65.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.951 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.5 t30 -39.19 -30.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -61.76 -53.82 50.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.6 pt-20 -95.22 7.72 45.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.81 -171.84 13.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.3 tp -91.53 163.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -54.09 98.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 109.67 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -134.73 137.96 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.302 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 14' ' ' GLU . 2.0 pt -116.08 48.57 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 28.5 m170 -86.99 167.1 14.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -108.84 173.18 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.3 m -69.29 -31.01 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.0 mt -74.67 -37.15 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.425 HG23 ' CD2' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -72.75 -39.01 67.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.499 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 3.6 mp -59.68 -41.15 90.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.548 ' CB ' ' NH2' ' A' ' 100' ' ' ARG . . . -60.01 -46.92 87.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.572 ' CD1' ' HA3' ' A' ' 5' ' ' GLY . 0.9 OUTLIER -72.89 -50.85 21.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.513 ' CD1' ' NE1' ' A' ' 6' ' ' TRP . 6.0 mp -55.61 -52.32 64.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 93' ' ' ALA . 48.0 mt -61.51 -50.03 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.542 ' CG ' HG13 ' A' ' 97' ' ' ILE . 1.6 mtt85 -37.72 -34.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -46.91 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.545 ' CD ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.04 1.26 55.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.586 ' O ' ' CD1' ' A' ' 97' ' ' ILE . . . -169.61 79.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.8 p -83.4 15.13 3.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -96.88 -88.86 0.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 109.634 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.438 ' CD ' ' O ' ' A' ' 114' ' ' GLY . 2.1 mtp180 -100.35 104.56 16.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.586 ' CD1' ' O ' ' A' ' 93' ' ' ALA . 38.0 mm -113.99 167.57 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.5 ' N ' ' CG2' ' A' ' 97' ' ' ILE . 2.2 p -87.9 148.18 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -111.61 179.31 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.572 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.548 ' NH2' ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER -141.02 101.67 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 102' ' ' VAL . 2.6 p -102.09 145.07 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.474 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 7.5 p -122.8 85.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.03 -41.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.3 t -135.34 176.38 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.03 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -97.89 134.82 40.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -146.97 138.76 24.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.551 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 15.0 mt-10 -103.77 146.41 28.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.416 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.1 OUTLIER -138.56 143.87 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -159.78 164.51 34.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 111' ' ' THR . 0.4 OUTLIER -148.93 168.74 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.439 ' N ' HG12 ' A' ' 110' ' ' VAL . 3.2 p -114.2 -24.93 8.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -155.8 -44.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 110.34 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 157.72 -22.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.438 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -78.2 -75.0 0.99 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.434 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.3 mt-10 -78.46 141.72 38.05 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.532 0.784 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.414 ' CG2' HG22 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -128.41 164.1 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 2.7 pp -132.57 140.43 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.551 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.92 153.58 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -173.34 126.94 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.6 mp -81.85 51.07 1.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 9.3 t-20 61.32 141.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.901 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.45 ' N ' ' NH1' ' A' ' 4' ' ' ARG . 27.3 mtt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.431 0.158 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 -58.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -103.33 126.12 50.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.45 ' NH1' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -179.6 42.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.568 ' HA2' ' CD1' ' A' ' 87' ' ' PHE . . . -109.16 -172.17 20.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.712 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -80.29 -77.9 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' TRP . 41.2 t 36.52 58.69 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.472 ' HA ' ' CB ' ' A' ' 12' ' ' ALA . 1.3 tt0 39.95 72.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.04 -80.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -133.2 -79.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.2 mt -85.27 13.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 8' ' ' GLN . . . -43.93 -35.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -58.22 8.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 6.7 tt0 -60.65 -27.69 68.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.45 ' O ' ' CG2' ' A' ' 18' ' ' THR . 8.9 mp -68.79 -56.22 8.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -35.37 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.08 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -69.67 -27.15 64.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.6 t -78.06 177.24 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 2.6 ptt-85 85.29 120.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -125.16 69.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 59.93 28.89 18.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 23' ' ' SER . 97.9 t -104.71 -108.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 0.0 109.19 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.442 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -52.95 -66.69 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.048 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 39.24 56.5 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.505 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -68.98 -32.7 55.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.712 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 12.9 pt-20 -66.02 -41.98 90.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -58.9 4.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' CD ' ' HA ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -57.07 -42.4 80.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -59.25 -65.84 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.402 ' C ' ' H ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -55.44 -16.05 3.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.04 47.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 30' ' ' MET . 50.7 m-20 49.05 35.07 6.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -62.19 170.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.426 ' N ' HG23 ' A' ' 33' ' ' ILE . 2.8 tt0 -179.83 39.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.23 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 48.2 60.65 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.7 m -118.6 -40.15 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -80.85 -63.82 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 73.63 44.48 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.4 m -80.81 -77.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 110.376 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -50.82 -20.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 25.2 t0 -79.52 -53.86 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -49.9 -39.18 38.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.72 -42.24 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.5 ' CE ' ' HE3' ' A' ' 92' ' ' LYS . 10.3 mmtm -49.45 -29.66 6.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.211 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.9 t -54.66 -22.29 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.958 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -83.51 5.97 22.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -47.59 -40.59 19.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 79.5 -176.7 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.61 1.194 . . . . 0.0 109.976 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.3 Cg_endo -74.95 125.24 9.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.2 t -133.49 162.06 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -156.4 134.76 11.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.524 ' HB ' ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -152.84 148.65 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.61 148.45 25.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.0 139.67 41.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.276 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -120.33 -174.15 2.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -52.47 128.26 25.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.401 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -51.01 -24.78 8.95 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.54 -30.09 71.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 0.71 . . . . 0.0 109.212 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.4 7.45 33.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 tp -49.21 -40.46 33.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -58.08 -49.53 76.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.44 -40.17 64.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.405 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -56.94 -27.45 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.78 -49.91 80.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -63.11 -33.15 74.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.501 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -74.94 -34.75 62.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.524 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 25.6 mt -65.16 -50.28 66.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -47.01 -45.38 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.05 -23.26 61.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.328 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 mm-40 -92.62 -40.34 10.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' GLU . 13.2 m -89.84 -65.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.3 t30 -39.75 -33.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -50.27 61.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.18 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -108.69 14.69 24.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.247 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.08 -168.91 12.73 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.5 tp -92.33 157.67 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -61.24 99.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.604 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.446 ' CG1' ' CG ' ' A' ' 80' ' ' HIS . 3.1 t -134.67 136.02 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.46 ' CG1' ' HB ' ' A' ' 18' ' ' THR . 1.4 pt -109.24 46.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.465 ' CE1' HD22 ' A' ' 88' ' ' LEU . 63.6 m170 -86.96 163.84 16.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -105.06 166.6 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.4 t -64.9 -29.63 70.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.8 mt -74.48 -38.64 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.445 HG21 ' CD1' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -74.49 -35.15 63.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.428 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' CD1' ' CB ' ' A' ' 80' ' ' HIS . 4.6 mp -59.46 -41.05 88.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.15 -46.72 89.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.568 ' CD1' ' HA2' ' A' ' 5' ' ' GLY . 1.3 t80 -71.57 -49.46 40.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.465 HD22 ' CE1' ' A' ' 80' ' ' HIS . 6.2 mp -56.32 -51.23 69.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.667 ' O ' ' N ' ' A' ' 93' ' ' ALA . 8.0 mt -61.05 -51.81 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.524 ' NH2' ' CE1' ' A' ' 87' ' ' PHE . 1.3 mtm180 -38.88 -34.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -71.88 -46.46 57.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.513 ' CD ' ' HA ' ' A' ' 89' ' ' ILE . 0.4 OUTLIER -89.85 0.78 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -176.06 84.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -6.14 24.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -96.09 -77.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.576 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.469 ' HG3' ' CB ' ' A' ' 93' ' ' ALA . 1.0 OUTLIER -67.85 106.31 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.441 HD13 ' CG ' ' A' ' 90' ' ' ARG . 5.8 mt -132.82 159.85 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 p -111.65 125.02 68.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -101.36 -173.29 2.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.584 1.178 . . . . 0.0 109.615 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -166.63 130.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.3 p -117.24 149.93 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.53 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 9.0 p -116.74 80.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.23 -38.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 t -135.22 176.99 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.33 136.92 32.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -133.86 168.93 17.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 20.0 mt-10 -152.51 141.82 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.574 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -145.63 142.5 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.211 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.4 ' O ' HG13 ' A' ' 117' ' ' ILE . . . -162.59 175.6 38.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -153.22 164.65 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.8 p -113.12 -26.65 8.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.433 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.524 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.63 -49.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.332 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER 153.92 -21.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.6 -70.15 1.31 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.89 135.89 33.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.2 pp -115.51 163.56 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 109' ' ' GLY . 2.6 pp -131.6 139.63 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -138.04 154.5 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -164.63 170.9 15.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -110.84 12.33 22.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 120' ' ' LEU . 3.2 t30 60.94 142.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.954 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.528 0.204 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 166.77 150.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' O ' ' CB ' ' A' ' 4' ' ' ARG . 3.1 pt-20 -124.9 130.04 51.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.228 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.544 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER 161.85 156.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.337 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.565 ' HA3' ' CZ ' ' A' ' 87' ' ' PHE . . . 132.97 82.95 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.644 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER 42.26 53.51 4.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.96 -58.0 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -157.66 64.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 0.0 110.265 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.12 -83.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -153.84 -77.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.5 mt -77.15 0.97 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.29 -33.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.31 -56.6 19.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -60.61 -25.28 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' N ' HD13 ' A' ' 15' ' ' LEU . 9.0 mp -73.69 -50.15 22.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -56.75 -34.98 68.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -67.33 -33.95 76.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.385 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.92 153.8 22.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.492 ' CA ' ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -175.91 -41.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.424 ' C ' ' N ' ' A' ' 22' ' ' VAL . 1.3 tp60 38.07 31.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.2 m-20 45.46 25.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.068 . . . . 0.0 109.251 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 23' ' ' SER . 53.9 t -104.65 -102.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 25' ' ' ILE . 11.0 m -79.6 16.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.492 ' HB1' ' CA ' ' A' ' 19' ' ' ARG . . . -66.71 61.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.526 ' N ' ' O ' ' A' ' 23' ' ' SER . 82.2 mt -67.21 -20.51 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.644 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 42.0 mt-10 -65.37 -59.0 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.398 1.061 . . . . 0.0 110.221 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -47.93 73.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 7.3 mttt -55.18 -53.96 49.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -49.42 -61.94 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -14.11 14.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.24 45.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 47.84 34.04 3.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -53.56 169.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -127.02 -64.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.03 34.62 3.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.491 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 22.7 t 67.58 9.63 7.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? 41.02 28.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 36' ' ' SER . 69.6 m-20 54.16 43.37 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' SER . 97.7 m -80.22 -83.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -47.38 -24.32 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' ' C ' ' A' ' 39' ' ' THR . 8.7 t70 -76.08 -53.5 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.387 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -48.03 -38.31 16.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -79.9 -39.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -26.27 25.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -78.47 -5.65 53.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 43' ' ' VAL . 13.1 mt -44.89 -38.57 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 48' ' ' SER . 14.9 mtpt -136.97 -95.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER 155.82 -57.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 48' ' ' SER . 18.4 Cg_endo -74.96 127.65 10.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.3 t -150.12 136.68 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -147.96 142.94 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.537 ' CG2' HD21 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -151.24 147.18 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 67' ' ' LEU . 7.3 tt -96.49 147.15 24.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.3 t -114.38 123.43 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -111.59 -173.06 2.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' CG ' ' HB ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -50.93 126.78 17.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.358 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.413 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -48.79 -29.72 8.29 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.582 1.176 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.04 -22.95 65.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.435 ' HB ' ' CG ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -112.03 7.84 19.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 64' ' ' ILE . 11.1 tp -51.58 -41.37 61.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.16 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -56.89 -48.52 77.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.411 1.069 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.3 tt0 -73.95 -38.97 64.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -24.79 30.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 60' ' ' LEU . 10.4 mt -65.73 -48.63 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 12.7 pttt -66.43 -34.47 78.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.485 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.64 -37.07 65.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.537 HD21 ' CG2' ' A' ' 52' ' ' ILE . 14.9 mt -71.62 -43.27 66.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -47.69 -46.46 29.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.2 mm-40 -54.6 -24.02 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.8 mm-40 -93.66 -42.17 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.454 ' C ' ' N ' ' A' ' 73' ' ' LYS . 1.4 m -87.31 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 110.079 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -41.21 -28.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.59 -59.41 4.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' CD ' ' O ' ' A' ' 70' ' ' GLU . 8.9 pm0 -80.64 3.12 23.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.4 -169.92 13.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.47 HG21 ' CG1' ' A' ' 22' ' ' VAL . 5.4 tp -93.59 165.12 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.22 99.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.427 HG11 ' N ' ' A' ' 79' ' ' ILE . 2.0 t -134.72 143.97 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.427 ' N ' HG11 ' A' ' 78' ' ' VAL . 18.9 pt -117.81 53.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.584 ' CE1' HD22 ' A' ' 88' ' ' LEU . 53.2 m170 -87.33 167.62 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -107.04 174.64 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.28 -31.66 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.8 mt -74.3 -36.22 42.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.02 -35.07 66.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.43 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.66 -39.11 83.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.71 92.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.565 ' CZ ' ' HA3' ' A' ' 5' ' ' GLY . 2.2 t80 -71.12 -49.94 38.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.584 HD22 ' CE1' ' A' ' 80' ' ' HIS . 3.5 mp -59.22 -48.97 79.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 93' ' ' ALA . 78.9 mt -63.16 -50.51 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.604 1.19 . . . . 0.0 109.379 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 94' ' ' SER . 4.8 mtm180 -38.33 -34.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -66.75 -44.24 82.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.562 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -88.64 -15.77 34.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -154.27 74.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 90' ' ' ARG . 4.3 p -73.41 -2.62 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -89.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.643 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.473 ' HD3' ' CG1' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -93.32 108.49 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.21 171.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.601 1.188 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 p -98.01 152.08 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.15 -172.04 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.3 126.73 14.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.5 p -119.59 149.92 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.471 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 7.9 p -129.22 84.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.96 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.3 t -135.24 176.99 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -89.47 134.89 33.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -138.32 171.06 14.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 47.9 mt-10 -151.81 145.36 24.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.539 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -143.25 140.6 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.418 ' O ' ' CG1' ' A' ' 117' ' ' ILE . . . -160.75 148.79 17.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.168 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.462 ' CG2' HD13 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -132.68 163.52 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 0.724 . . . . 0.0 109.314 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 31.9 p -112.29 -25.15 9.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -151.28 -49.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.7 OUTLIER 157.4 -23.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.236 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.79 -73.91 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -78.4 136.11 37.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.473 ' CG1' ' HD3' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -123.12 162.75 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 109' ' ' GLY . 5.3 pt -132.51 139.16 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -133.01 154.38 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.56 166.41 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 121' ' ' ASN . 0.1 OUTLIER -114.37 6.58 16.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.608 1.193 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 120' ' ' LEU . 8.9 t-20 61.03 142.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.019 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.52 0.2 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -139.35 144.07 38.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -106.24 125.53 51.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.433 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 1.0 OUTLIER 168.77 164.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.28 -95.19 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.687 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -98.52 58.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.2 t -93.81 -42.61 9.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.91 55.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.88 -79.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.97 -69.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.9 mt -74.69 -1.93 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.14 -42.26 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 11.6 ptp180 -56.52 -53.72 54.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 13' ' ' ARG . 5.1 tt0 -56.06 -35.08 66.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.538 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 11.2 mp -61.4 -56.19 23.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -32.03 33.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 m -82.71 -27.42 31.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.506 ' CG2' ' NE2' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -84.54 -173.6 4.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.584 ' NE ' ' CE1' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 77.72 13.05 1.84 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 19' ' ' ARG . 23.8 mm-40 33.61 40.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 t30 41.69 27.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.434 ' N ' ' C ' ' A' ' 20' ' ' GLN . 13.1 p -96.91 -3.96 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -149.32 -78.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 34.7 67.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.496 HD12 ' CA ' ' A' ' 88' ' ' LEU . 4.9 mt -45.4 -25.4 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.687 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -65.41 -41.44 93.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ALA . 3.3 mtp180 -76.12 -49.75 16.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -58.31 -39.38 79.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -64.57 -61.03 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -11.86 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.67 46.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.9 m120 50.82 35.31 11.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -60.48 175.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER 86.22 19.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.359 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -112.89 12.51 19.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 1.8 m 84.88 73.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -95.82 -34.03 12.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 110.26 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 61.29 14.44 5.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 m -75.38 -81.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.402 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.483 ' CD1' ' HB3' ' A' ' 91' ' ' GLU . 2.1 pt? -47.35 -27.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -67.23 -58.26 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -52.23 -31.35 31.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -83.93 -25.09 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -64.17 -45.81 86.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -56.46 -20.07 18.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt -83.05 6.51 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.255 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD3' ' NH1' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -52.02 -50.79 60.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.551 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 49.79 -179.5 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.1 Cg_endo -75.0 131.29 14.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.5 t -149.16 160.84 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.43 139.68 16.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.476 ' CD1' ' OG ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -162.4 148.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.527 ' O ' ' CD1' ' A' ' 67' ' ' LEU . 2.5 tt -97.7 148.94 22.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.506 ' SG ' ' CD1' ' A' ' 60' ' ' LEU . 6.7 t -118.77 139.25 51.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.1 -173.97 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.318 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.85 143.03 17.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.91 -19.35 3.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -79.43 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -2.11 5.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.376 1.048 . . . . 0.0 110.405 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.506 ' CD1' ' SG ' ' A' ' 54' ' ' CYS . 4.5 tp -48.41 -41.16 28.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -57.28 -50.06 74.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -41.57 67.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.465 HG22 HD13 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -57.66 -34.59 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.533 ' CG1' ' HA ' ' A' ' 81' ' ' ASP . 0.5 OUTLIER -62.22 -38.47 81.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -43.01 94.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -34.79 72.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.255 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.527 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 52.2 mt -67.97 -44.08 77.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.597 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -47.48 -44.84 25.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.6 mm-40 -56.3 -24.09 41.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.7 mm-40 -93.12 -40.6 10.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.476 ' OG ' ' CD1' ' A' ' 52' ' ' ILE . 38.3 m -91.15 -64.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.597 ' N ' ' O ' ' A' ' 68' ' ' LEU . 4.9 t30 -40.13 -32.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.62 -50.97 68.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -92.87 6.7 46.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.17 -171.53 13.95 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 77' ' ' HIS . 7.5 tp -92.18 154.98 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.42 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -45.11 99.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.589 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.424 HG12 ' NH2' ' A' ' 19' ' ' ARG . 3.9 t -134.74 142.3 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.3 pt -127.87 37.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.584 ' CE1' ' NE ' ' A' ' 19' ' ' ARG . 11.7 m170 -87.45 164.28 16.26 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 109.567 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.533 ' HA ' ' CG1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -101.38 167.79 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.42 -29.75 70.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.467 ' CG1' HD23 ' A' ' 60' ' ' LEU . 2.3 mt -65.09 -40.6 89.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.495 HG23 ' CD1' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -78.75 -32.39 46.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.473 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -57.64 -36.72 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.16 91.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.433 ' CE2' ' O ' ' A' ' 4' ' ' ARG . 1.8 t80 -72.03 -51.52 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.568 HD21 ' CE1' ' A' ' 80' ' ' HIS . 6.6 mp -56.19 -50.44 71.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.657 ' O ' ' N ' ' A' ' 93' ' ' ALA . 67.9 mt -64.32 -50.46 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.63 -35.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -72.32 -44.98 61.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -89.06 0.73 56.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.657 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -176.62 84.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.3 p -69.02 -6.33 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.09 -75.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.645 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.464 ' HG3' ' CB ' ' A' ' 93' ' ' ALA . 0.3 OUTLIER -70.38 104.64 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.09 159.49 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.2 p -108.48 128.91 63.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -172.14 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.458 ' HG3' ' CD1' ' A' ' 60' ' ' LEU . 6.9 tmm_? -169.14 114.85 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.58 149.0 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 1.5 t -112.84 67.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.83 -42.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.2 p -129.7 176.25 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.31 147.01 25.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.573 ' CE1' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -151.81 134.33 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 54.3 mt-10 -105.68 148.98 26.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.526 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -141.95 146.36 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.495 ' C ' ' CG1' ' A' ' 117' ' ' ILE . . . -167.71 170.55 41.84 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.437 1.086 . . . . 0.0 110.982 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -146.08 168.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.3 p -114.09 -27.94 7.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.408 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.99 -48.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.2 OUTLIER 154.17 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.41 -70.99 1.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.479 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 5.7 mm-40 -78.55 161.35 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.7 157.67 43.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.495 ' CG1' ' C ' ' A' ' 109' ' ' GLY . 6.9 pt -132.4 140.3 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 14.9 p -145.44 154.29 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.444 ' N ' HG22 ' A' ' 118' ' ' VAL . 8.0 t70 -173.39 128.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.573 HD11 ' CE1' ' A' ' 106' ' ' PHE . 4.5 mp -81.55 50.82 1.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.3 t-20 61.43 140.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtt . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.439 0.162 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.81 -49.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 4.1 pt-20 -39.24 133.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 19.7 ptt180 44.64 -168.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.86 -151.67 16.96 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.693 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -99.05 57.24 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.97 -53.71 3.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.43 47.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -67.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -164.33 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mt -73.84 -0.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.01 -41.38 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 14.8 ptt180 -55.01 -54.63 40.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' N ' ' CG ' ' A' ' 13' ' ' ARG . 2.2 tt0 -59.34 -27.72 66.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 18' ' ' THR . 0.5 OUTLIER -72.0 -52.09 18.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -52.48 -34.99 51.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.221 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 m -60.74 -27.23 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.511 ' CG2' ' N ' ' A' ' 19' ' ' ARG . 4.7 t -85.61 -149.42 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.511 ' N ' ' CG2' ' A' ' 18' ' ' THR . 13.2 ttp-105 85.04 36.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.02 62.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER 64.92 25.53 12.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.553 ' O ' ' CB ' ' A' ' 23' ' ' SER . 8.0 p -100.19 75.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 1.7 t 89.03 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.951 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 32.55 54.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.453 ' CG2' ' HG3' ' A' ' 91' ' ' GLU . 93.4 mt -71.27 -35.43 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.693 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 6.3 pt-20 -67.59 -47.05 70.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -54.19 44.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -56.53 -56.89 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.385 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . . . -45.45 -61.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -18.9 40.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.594 1.184 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -80.39 46.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.9 m120 45.98 35.14 2.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -54.89 156.49 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.432 1.083 . . . . 0.0 109.233 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -175.07 34.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.364 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp 69.51 80.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -150.9 -48.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -64.12 -38.43 91.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 61.83 34.49 17.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.6 m -74.76 -82.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -47.55 -27.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.433 ' N ' HD12 ' A' ' 40' ' ' LEU . 25.5 t0 -66.7 -56.93 8.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 3.0 t80 -51.85 -33.27 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.607 1.192 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -83.76 -21.97 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.433 1.083 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.492 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -66.36 -44.13 84.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.492 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 34.2 t -45.1 -44.97 10.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.7 mt -39.26 -41.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.696 ' HZ1' ' NH2' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 42.06 38.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.8 m -62.74 145.73 95.36 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.452 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 18.1 Cg_endo -75.02 149.27 36.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 49' ' ' PRO . 62.7 t -155.11 161.27 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -158.61 139.5 12.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.42 1.075 . . . . 0.0 110.34 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.439 ' CD1' HD12 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -156.74 146.81 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 tt -93.81 148.98 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.4 t -118.91 126.29 51.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 108.354 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -115.63 -171.94 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -49.98 127.29 16.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.45 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -46.41 -26.68 2.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.13 -33.73 76.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.754 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.464 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -99.4 8.19 44.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.523 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 8.0 tp -55.35 -45.22 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -52.12 -49.12 64.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -36.37 67.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.464 HD13 ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER -61.16 -27.5 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.54 ' O ' ' CD2' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -62.6 -50.13 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -63.07 -34.24 77.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.56 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.1 mtp180 -73.47 -33.49 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -61.36 -50.37 73.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -46.37 -50.46 16.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -51.58 -24.63 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.329 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.7 mm-40 -94.41 -41.42 9.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.592 1.183 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 74' ' ' GLU . 20.1 m -86.47 -66.34 0.92 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.029 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 t30 -40.46 -29.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -62.49 -51.16 68.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.0 pp20? -95.53 3.31 54.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.01 -172.63 13.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.406 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 8.3 tp -92.7 162.46 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.428 0.722 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.19 100.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.576 HG12 ' CD2' ' A' ' 80' ' ' HIS . 2.9 t -134.25 137.41 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.45 ' CG1' ' HB ' ' A' ' 18' ' ' THR . 46.1 pt -114.72 49.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.576 ' CD2' HG12 ' A' ' 78' ' ' VAL . 6.9 m-70 -87.14 167.96 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.574 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.457 ' HA ' ' CG1' ' A' ' 64' ' ' ILE . 3.5 m-20 -111.87 172.51 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.3 t -68.6 -30.81 69.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.7 mt -74.1 -35.03 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.454 ' CB ' HD11 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -76.57 -33.59 58.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.473 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.497 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 5.8 mp -58.82 -41.89 87.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.63 97.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -72.31 -49.75 32.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.408 ' CD1' HG21 ' A' ' 84' ' ' THR . 5.5 mp -61.53 -40.15 93.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.586 ' O ' ' N ' ' A' ' 93' ' ' ALA . 75.8 mt -69.65 -51.61 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.76 -34.71 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.453 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 2.5 mm-40 -70.59 -46.23 63.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.31 1.95 55.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.586 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -170.52 79.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.4 p -79.58 3.42 18.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.443 1.089 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -87.15 -88.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.551 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -100.71 111.83 24.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -115.54 171.84 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.429 HG23 ' CG1' ' A' ' 108' ' ' ILE . 2.5 p -97.05 148.39 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.62 -168.96 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.563 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -160.66 119.35 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.0 p -112.33 149.49 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.495 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 9.4 p -116.17 85.71 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.96 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 t -135.54 176.88 8.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.4 137.11 37.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.561 ' CD1' ' HG ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.99 139.47 18.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.585 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 32.6 mt-10 -111.34 148.95 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.429 ' CG1' HG23 ' A' ' 98' ' ' VAL . 0.2 OUTLIER -135.91 137.21 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.363 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.42 ' CA ' HG13 ' A' ' 117' ' ' ILE . . . -149.33 154.93 26.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.463 HG23 ' CG2' ' A' ' 116' ' ' ILE . 0.8 OUTLIER -143.56 156.75 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 p -115.13 -20.77 10.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 110.379 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.696 ' NH2' ' HZ1' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -144.73 -53.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.253 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 5.3 m-20 155.55 -23.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.46 -70.56 1.33 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -79.2 136.98 37.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 110.315 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.463 ' CG2' HG23 ' A' ' 110' ' ' VAL . 2.2 pp -122.79 166.56 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.42 HG13 ' CA ' ' A' ' 109' ' ' GLY . 1.2 pt -132.75 140.3 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.585 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 17.9 m -122.43 153.45 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.3 110.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.561 ' HG ' ' CD1' ' A' ' 106' ' ' PHE . 3.0 mp -84.12 50.21 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 120' ' ' LEU . 12.2 t-20 61.24 140.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.515 0.197 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.36 161.06 43.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.359 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -125.28 162.1 25.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -129.06 128.46 43.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.554 ' HA3' ' CD1' ' A' ' 87' ' ' PHE . . . -146.88 -82.77 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.644 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -85.46 -80.62 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.02 -87.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.454 ' HA ' ' CB ' ' A' ' 12' ' ' ALA . 10.2 tt0 -158.48 54.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -57.37 -65.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -154.28 -84.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.8 mt -75.5 5.16 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.454 ' CB ' ' HA ' ' A' ' 8' ' ' GLN . . . -39.31 -37.14 0.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.162 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -58.69 6.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.24 -24.93 63.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.503 ' O ' ' CG2' ' A' ' 18' ' ' THR . 0.9 OUTLIER -69.17 -60.4 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' O ' ' NH1' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -51.26 -30.53 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 2.2 m -69.48 -29.54 67.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.528 ' CG2' ' N ' ' A' ' 19' ' ' ARG . 6.9 t -81.9 -144.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.528 ' N ' ' CG2' ' A' ' 18' ' ' THR . 0.0 OUTLIER 35.14 67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.22 60.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' ARG . 7.5 m-20 62.3 23.61 13.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.6 t -100.19 3.92 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 24' ' ' ALA . 20.5 t -176.05 -73.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.984 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 37.77 60.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.459 HD11 ' CA ' ' A' ' 88' ' ' LEU . 11.0 mt -50.55 -25.65 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.644 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 10.6 pt-20 -71.84 -52.87 15.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 18.6 ttt180 -58.12 -50.67 72.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.1 -57.68 11.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -45.27 -62.82 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 mmm -57.18 -21.72 35.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.65 47.21 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 44.93 35.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -54.12 158.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 13.9 tt0 -174.41 -48.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 10.0 mttt 169.38 82.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.239 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -146.49 -72.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.978 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -51.64 -49.89 61.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 60.17 44.73 12.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 41' ' ' ASP . 84.3 m -76.46 -83.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.444 ' CD2' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -46.12 -25.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 39' ' ' THR . 7.6 t70 -70.99 -55.68 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -51.42 -37.21 47.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -27.8 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.457 ' CE ' ' NH2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -63.58 -34.71 78.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' LEU . 37.5 t -53.11 -45.13 68.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.041 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.5 mt -39.94 -58.08 1.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 mttt 66.79 60.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.97 144.56 30.25 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.407 ' C ' ' CG2' ' A' ' 50' ' ' VAL . 18.2 Cg_endo -74.99 144.65 30.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.407 ' CG2' ' C ' ' A' ' 49' ' ' PRO . 23.8 t -153.04 161.31 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.3 142.5 9.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.528 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -154.05 148.6 13.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 109.247 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.81 145.2 26.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 t -103.33 139.06 39.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -119.98 -174.1 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 59' ' ' THR . 4.3 mtm180 -57.86 127.69 33.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.458 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -46.78 -26.64 2.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -63.63 -35.04 79.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.754 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.457 ' O ' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -99.7 9.15 43.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' HG22 ' A' ' 63' ' ' ILE . 11.6 tp -51.35 -43.76 61.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -52.67 -49.91 64.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -35.66 68.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.211 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.405 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -61.6 -25.92 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.501 HD12 ' N ' ' A' ' 64' ' ' ILE . 1.6 mm -63.01 -48.19 89.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 1.5 tttp -65.03 -34.53 78.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -32.85 62.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.528 HD23 ' CG2' ' A' ' 52' ' ' ILE . 13.5 mt -64.64 -54.15 36.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 72' ' ' ASN . 3.3 pp -54.62 -39.64 68.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 65' ' ' LYS . 4.6 mm-40 -60.81 -24.03 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.407 ' O ' ' OE2' ' A' ' 74' ' ' GLU . 1.6 mm-40 -95.22 -35.39 11.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.252 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -91.45 -63.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.9 t-20 -43.36 -32.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -38.44 65.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.0 OUTLIER -119.53 13.83 12.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.257 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.66 -167.75 12.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 77' ' ' HIS . 7.2 tp -90.59 154.29 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 0.734 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.424 ' N ' HG13 ' A' ' 76' ' ' ILE . 7.3 t-160 -48.42 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.4 1.063 . . . . 0.0 109.565 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.3 t -136.34 140.24 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.1 pt -127.57 49.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.55 ' ND1' ' CD2' ' A' ' 88' ' ' LEU . 50.9 m170 -90.0 165.8 13.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.477 ' CB ' HG13 ' A' ' 64' ' ' ILE . 1.3 m-20 -105.22 164.67 11.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.434 ' CB ' ' HD3' ' A' ' 100' ' ' ARG . 1.1 t -55.05 -35.3 64.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.998 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mt -63.59 -42.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.501 HG22 ' CD2' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -75.9 -35.11 59.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.459 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 1.3 mp -58.29 -41.65 84.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.83 -44.76 95.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.554 ' CD1' ' HA3' ' A' ' 5' ' ' GLY . 0.9 OUTLIER -71.49 -50.99 26.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.55 ' CD2' ' ND1' ' A' ' 80' ' ' HIS . 6.1 mp -57.92 -50.22 74.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 93' ' ' ALA . 86.6 mt -61.93 -52.9 55.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -39.77 -35.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -45.99 61.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.504 ' CD ' ' HA ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.19 0.62 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.648 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -176.15 83.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.9 p -69.22 -6.05 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -95.96 -75.49 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.559 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.462 ' HG3' ' CB ' ' A' ' 93' ' ' ALA . 4.8 ppt_? -70.83 104.38 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.7 mt -128.99 170.96 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.5 p -117.44 135.49 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -97.01 169.78 9.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.559 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.434 ' HD3' ' CB ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -143.99 115.47 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.8 p -116.01 149.33 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.503 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 9.9 p -124.7 81.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.355 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -177.29 -38.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.3 m -134.89 176.6 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.03 136.79 32.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.82 170.54 15.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.48 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 46.4 mt-10 -154.78 140.22 17.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.569 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -145.45 142.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.44 ' O ' ' CG1' ' A' ' 117' ' ' ILE . . . -166.82 162.77 36.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -133.01 168.87 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.261 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.1 p -114.81 -28.53 7.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.36 -49.27 0.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER 155.4 -21.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.11 -68.18 1.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -81.09 150.17 28.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 0.726 . . . . 0.0 110.332 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.0 pp -128.26 159.85 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 109' ' ' GLY . 5.9 pt -131.52 139.96 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 14.3 p -140.18 157.22 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -169.1 168.08 10.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -106.57 14.37 27.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.5 t-20 61.12 141.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.1 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.518 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 3.8 mtt . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.526 0.203 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.518 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 157.34 44.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.92 127.0 51.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.44 HH11 ' N ' ' A' ' 4' ' ' ARG . 0.7 OUTLIER 47.2 -174.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.22 91.25 1.95 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.569 1.168 . . . . 0.0 111.01 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.722 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -94.86 29.57 2.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -35.1 79.46 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.576 1.172 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 170.86 72.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.92 -77.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -138.47 -85.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 mt -77.4 3.07 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.27 -35.06 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -57.53 11.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.453 ' O ' ' CD1' ' A' ' 79' ' ' ILE . 1.4 mt-10 -59.65 -30.73 68.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 80' ' ' HIS . 1.1 tt -65.83 -52.29 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -55.37 -37.41 67.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -27.6 68.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.472 ' HB ' ' CG1' ' A' ' 79' ' ' ILE . 0.5 OUTLIER -87.78 128.42 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.53 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER 176.17 40.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.225 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -69.47 59.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.02 27.34 12.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.55 ' CG1' ' N ' ' A' ' 23' ' ' SER . 2.7 p -90.44 -146.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.55 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -49.87 -63.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.019 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.462 ' CB ' ' HG3' ' A' ' 19' ' ' ARG . . . 45.09 53.28 7.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 62.9 mt -76.59 -30.47 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.722 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -66.03 -42.19 89.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -74.26 -50.44 18.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 10.4 mttm -56.24 -44.43 79.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 109.371 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -61.98 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -12.33 7.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -79.08 46.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 51.1 30.9 5.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -57.32 137.28 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.24 -64.71 1.02 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 110.352 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.44 45.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' ASN . 9.8 t -136.59 -88.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.1 OUTLIER 64.91 -71.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER 80.13 10.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 41' ' ' ASP . 3.7 m -77.11 -92.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.345 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.423 ' CD2' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -43.5 -27.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 39' ' ' THR . 21.0 t70 -69.9 -56.44 7.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -49.28 -38.75 28.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -78.3 -30.5 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -35.18 74.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' LEU . 48.3 t -50.88 -46.28 60.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.075 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.6 mt -39.2 -51.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.4 mttt 68.6 63.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.9 p -96.45 139.56 21.75 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 151.58 39.68 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.5 t -152.91 161.38 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.16 142.43 13.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.406 ' CD1' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -161.49 147.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -99.42 148.03 24.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 23.5 t -108.01 129.4 55.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -116.19 -174.75 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.223 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.86 126.59 20.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.456 ' N ' ' CG2' ' A' ' 102' ' ' VAL . . . -47.25 -28.22 4.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -61.3 -31.66 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.417 0.716 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.413 ' O ' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -103.53 7.97 37.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tp -49.64 -40.91 41.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -57.09 -49.38 76.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -38.59 67.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.236 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.459 HD13 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -57.39 -29.61 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.233 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 61' ' ' ASP . 9.2 mt -61.9 -46.6 96.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -63.75 -39.23 93.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.44 -34.57 72.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -65.27 -51.88 57.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.563 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -49.12 -44.47 42.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.28 -24.76 45.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -93.64 -41.04 9.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.253 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 74' ' ' GLU . 14.3 m -85.73 -65.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.5 t30 -42.24 -29.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -63.75 -48.65 76.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.9 pt-20 -97.05 6.84 47.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.51 -171.46 13.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.555 1.159 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 6.7 mm -91.61 161.46 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -47.24 98.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.597 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 83.2 t -135.8 141.99 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.472 ' CG1' ' HB ' ' A' ' 18' ' ' THR . 21.8 pt -122.12 51.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.534 ' ND1' ' CD2' ' A' ' 88' ' ' LEU . 65.0 m170 -88.26 167.24 13.74 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.551 1.157 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -112.99 175.63 5.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.227 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -68.87 -32.27 71.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 110.064 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.418 HG23 ' NH1' ' A' ' 100' ' ' ARG . 14.9 mt -70.18 -35.59 63.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.442 HG21 ' CD1' ' A' ' 88' ' ' LEU . 0.8 OUTLIER -77.42 -36.67 52.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.514 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.67 -35.73 75.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.25 -50.29 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.34 -48.41 42.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.534 ' CD2' ' ND1' ' A' ' 80' ' ' HIS . 7.4 mp -56.29 -38.86 71.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 93' ' ' ALA . 68.4 mt -74.18 -50.84 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.81 -36.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -43.48 32.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.242 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -83.11 -3.25 57.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.648 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -177.45 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.09 0.99 16.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.09 -77.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.29 108.51 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -117.47 171.49 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.2 p -100.07 148.29 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.593 ' NE2' ' CE2' ' A' ' 106' ' ' PHE . 46.8 p-80 -111.76 -172.88 2.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.677 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.514 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 7.9 ptp180 -144.25 117.09 8.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.381 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.433 HG21 ' N ' ' A' ' 102' ' ' VAL . 7.5 p -115.51 143.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.47 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 7.4 p -128.85 81.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.75 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.1 m -134.38 176.52 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.96 141.41 28.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CE2' ' NE2' ' A' ' 99' ' ' HIS . 0.2 OUTLIER -144.92 166.46 25.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.602 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 0.7 OUTLIER -149.49 146.61 27.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.568 ' CD1' ' N ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -146.9 145.06 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.365 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.24 169.42 38.34 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.477 HG22 ' CB ' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -154.0 170.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.3 p -115.89 -26.38 7.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.42 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -153.79 -45.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 160.77 -24.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.57 -75.08 1.0 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.405 ' C ' HG21 ' A' ' 116' ' ' ILE . 3.5 pm0 -79.54 136.61 36.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 0.717 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.477 ' CB ' HG22 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -132.75 166.21 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.9 pp -130.98 139.68 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.602 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 4.3 m -149.27 157.22 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.416 ' HB3' ' CD ' ' A' ' 107' ' ' GLU . 5.5 t0 -170.4 170.66 6.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -107.16 11.56 29.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 120' ' ' LEU . 5.4 t30 61.49 142.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.619 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 8' ' ' GLN . 99.9 p -97.7 45.41 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.406 ' CB ' ' O ' ' A' ' 7' ' ' SER . 2.6 tm0? 79.11 63.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.222 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -75.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -139.09 -92.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.432 ' C ' HD13 ' A' ' 15' ' ' LEU . 15.6 mt -71.29 -2.07 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.23 -37.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.42 ' CG ' ' H ' ' A' ' 14' ' ' GLU . 20.9 ptt85 -54.4 -55.47 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.818 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.7 OUTLIER -61.38 -28.33 69.16 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.44 1.088 . . . . 0.0 110.255 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.671 HD21 ' H ' ' A' ' 81' ' ' ASP . 7.8 mp -68.5 -57.98 5.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -51.92 -31.47 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.456 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 23.7 m -71.85 -27.43 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -87.35 122.55 31.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.479 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 2.4 ptt180 178.43 52.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 110.227 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.431 ' C ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.23 65.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.225 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 52.92 21.23 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 23' ' ' SER . 2.1 t -91.04 -139.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.482 ' H ' HG12 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -49.83 -60.49 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 37.84 56.27 1.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.823 HD12 ' HG ' ' A' ' 88' ' ' LEU . 36.5 mt -67.95 -26.73 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.619 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 10.1 mt-10 -69.59 -52.09 29.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -47.34 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -59.42 -58.3 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' A' ' 92' ' ' LYS . 1.4 pt? . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.8 -55.89 8.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.363 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -54.34 -35.86 63.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.98 -23.04 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.468 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -65.73 -42.57 90.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -46.66 -44.98 18.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 mt -41.15 -57.06 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.94 44.48 30.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -78.02 149.65 76.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.045 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.432 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -74.97 149.46 36.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.432 HG23 ' C ' ' A' ' 49' ' ' PRO . 46.4 t -152.31 161.59 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.424 ' N ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -159.46 135.07 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.517 HD12 HD13 ' A' ' 67' ' ' LEU . 3.0 pt -152.16 147.81 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.448 HD12 ' CG ' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -100.97 148.4 25.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.182 . . . . 0.0 109.323 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.801 ' HB2' HD11 ' A' ' 108' ' ' ILE . 2.0 t -112.79 140.82 47.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.192 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -125.04 -172.92 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -51.24 126.05 15.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.817 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -47.99 -31.56 8.22 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.581 1.176 . . . . 0.0 111.037 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.0 -18.68 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.969 HG23 HD13 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -115.72 6.09 14.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.417 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.45 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 9.5 tp -49.73 -41.3 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.806 ' HA ' HD12 ' A' ' 64' ' ' ILE . 7.8 p-10 -56.88 -50.8 71.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -35.9 66.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.969 HD13 HG23 ' A' ' 59' ' ' THR . 0.6 OUTLIER -60.22 -29.91 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.806 HD12 ' HA ' ' A' ' 61' ' ' ASP . 8.5 mt -60.83 -43.44 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -67.6 -38.4 83.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -34.71 71.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.517 HD13 HD12 ' A' ' 52' ' ' ILE . 3.9 mt -64.99 -52.39 56.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -49.51 -45.32 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' O ' ' CD ' ' A' ' 73' ' ' LYS . 2.6 mm-40 -56.33 -24.66 45.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.514 ' HB2' HG22 ' A' ' 52' ' ' ILE . 3.3 mm-40 -93.42 -41.0 10.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 74' ' ' GLU . 65.3 m -86.39 -66.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.063 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 t30 -42.2 -28.32 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -61.69 -48.26 81.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.4 pt-20 -106.08 12.44 30.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.69 -168.72 12.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.407 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 7.3 tp -91.61 149.47 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -48.94 99.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 109.605 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.25 142.47 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.818 HD11 ' O ' ' A' ' 14' ' ' GLU . 2.7 pt -117.56 49.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.441 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 12.8 m-70 -86.88 166.37 15.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.651 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.671 ' H ' HD21 ' A' ' 15' ' ' LEU . 65.2 m-20 -107.78 162.84 13.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.1 t -60.28 -30.89 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 36.8 mt -73.26 -34.56 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.803 HG23 HD13 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -79.32 -32.38 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.368 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 81' ' ' ASP . 4.9 mp -60.06 -41.45 92.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.503 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -62.1 -44.56 96.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -71.35 -50.55 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.823 ' HG ' HD12 ' A' ' 25' ' ' ILE . 7.6 mp -59.46 -40.34 86.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.606 ' O ' ' N ' ' A' ' 93' ' ' ALA . 66.3 mt -68.15 -52.02 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 6.9 mtt180 -39.17 -35.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -45.78 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.623 ' HB3' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -89.16 0.37 56.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.606 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -171.92 80.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.1 p -79.8 3.31 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.968 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -87.56 -84.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.615 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.461 ' CD ' ' O ' ' A' ' 114' ' ' GLY . 4.3 mtp180 -102.69 110.46 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.404 1.065 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.541 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -114.87 171.57 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.541 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.6 p -97.65 145.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -116.42 -177.77 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.612 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -144.17 129.63 18.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.28 149.91 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.817 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.7 p -129.25 81.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -178.09 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.37 177.13 8.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.2 138.7 31.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.559 ' CZ ' ' CG2' ' A' ' 118' ' ' VAL . 0.9 OUTLIER -137.61 165.86 25.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.568 1.167 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.543 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 4.2 mt-10 -148.14 140.91 24.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.215 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.801 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -136.88 144.8 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.37 159.02 29.14 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.867 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -152.74 164.5 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.466 ' N ' HG13 ' A' ' 110' ' ' VAL . 70.2 p -115.7 -25.83 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.501 1.125 . . . . 0.0 110.441 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.43 -50.37 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 1.9 m-20 158.76 -24.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.461 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -76.02 -73.08 1.02 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.512 ' O ' HG22 ' A' ' 110' ' ' VAL . 9.3 mm-40 -83.08 133.75 35.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.993 HD12 ' N ' ' A' ' 117' ' ' ILE . 0.5 OUTLIER -128.45 168.85 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.993 ' N ' HD12 ' A' ' 116' ' ' ILE . 2.8 pp -131.37 140.26 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.559 ' CG2' ' CZ ' ' A' ' 106' ' ' PHE . 14.3 p -131.34 154.57 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -166.46 171.7 11.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.668 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -109.13 20.46 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 120' ' ' LEU . 5.2 t30 61.28 139.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.666 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.9 t -69.31 -75.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.84 53.78 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.507 ' HD2' HD13 ' A' ' 83' ' ' ILE . 4.7 mmtm -68.84 -75.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.45 -84.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.522 HG22 ' CD1' ' A' ' 15' ' ' LEU . 11.8 mt -72.46 -4.58 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.34 -27.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -65.54 -56.57 11.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.481 ' O ' HD11 ' A' ' 79' ' ' ILE . 1.8 tp10 -62.32 -22.86 66.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.269 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.522 ' CD1' HG22 ' A' ' 11' ' ' ILE . 9.8 mp -77.39 -59.07 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -50.5 -30.58 13.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 m -77.49 -27.49 51.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -86.9 125.66 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.897 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 0.9 OUTLIER 175.41 61.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.245 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -71.57 58.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.1 m120 47.47 27.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.569 HG21 HD12 ' A' ' 76' ' ' ILE . 8.3 p -106.59 5.54 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.41 -79.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.051 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.897 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 44.29 58.11 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.546 HD12 ' HG ' ' A' ' 88' ' ' LEU . 21.6 mt -72.05 -32.45 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.666 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 1.9 pp20? -67.72 -48.79 65.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' HG3' ' NH2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -63.15 -53.9 46.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -57.84 -57.1 14.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.836 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.836 ' N ' HD22 ' A' ' 40' ' ' LEU . 11.8 t0 -70.85 -55.85 7.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -50.55 -39.08 48.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -78.75 -27.79 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.627 1.204 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -36.76 78.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 46' ' ' LEU . 38.8 t -48.38 -46.25 36.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.399 1.062 . . . . 0.0 109.962 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 43' ' ' VAL . 1.5 mt -39.3 -55.33 1.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.6 mttm 67.6 62.85 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -99.06 142.0 23.86 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.77 35.7 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.4 t -145.01 148.52 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.11 133.15 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.244 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.883 HG22 HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -156.91 147.95 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -98.53 148.92 23.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.489 ' CB ' HD11 ' A' ' 108' ' ' ILE . 17.8 t -111.7 132.86 54.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.545 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -119.82 -173.12 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HD3' HG12 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -51.21 134.37 27.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.811 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -57.88 -19.1 35.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 111.065 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.4 -7.74 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -127.32 6.55 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.673 HD12 HG21 ' A' ' 63' ' ' ILE . 7.7 tp -55.26 -44.44 75.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' A' ' 62' ' ' GLU . 7.6 p-10 -50.91 -49.15 60.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -73.81 -36.35 64.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.673 HG21 HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -63.33 -23.3 32.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.533 HD13 HG22 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -65.77 -48.23 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.975 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -66.18 -35.16 79.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.538 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -73.72 -37.07 65.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.25 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.883 HD22 HG22 ' A' ' 52' ' ' ILE . 2.8 mt -72.33 -42.0 65.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.975 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.01 -43.02 19.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -55.33 -25.09 32.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . 4.1 mm-40 -94.11 -40.58 9.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.324 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 72' ' ' ASN . 2.0 m -86.14 -67.13 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -39.09 -33.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.43 -59.64 5.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.01 7.28 18.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.3 -177.75 15.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.693 HD13 ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -96.36 158.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.244 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.693 ' N ' HD13 ' A' ' 76' ' ' ILE . 13.7 t-160 -40.45 99.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.607 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 80' ' ' HIS . 2.3 t -134.59 139.51 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.481 HD11 ' O ' ' A' ' 14' ' ' GLU . 9.9 pt -116.12 41.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 32.4 m170 -89.55 166.42 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.612 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.497 ' N ' HD21 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -119.98 167.69 11.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.2 t -55.03 -37.55 66.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.507 HD13 ' HD2' ' A' ' 9' ' ' LYS . 3.4 mt -61.42 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.665 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -73.2 -35.96 66.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 110.404 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.481 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.7 OUTLIER -60.04 -38.71 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.52 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -61.74 -47.53 84.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -71.8 -49.34 39.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.665 HD22 ' CG2' ' A' ' 84' ' ' THR . 6.3 mp -57.84 -38.62 75.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 93' ' ' ALA . 77.5 mt -72.61 -51.14 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.425 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -38.53 -34.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.266 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -46.09 68.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.83 ' HB3' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.87 1.07 56.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -174.1 80.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 p -81.53 6.98 13.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.013 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -91.41 -84.91 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.47 ' HB3' HG21 ' A' ' 116' ' ' ILE . 2.6 mtt180 -98.38 104.53 16.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.533 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -116.89 172.16 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.533 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.1 p -97.5 147.14 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -116.21 -173.99 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.581 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.01 115.83 7.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.5 p -108.36 149.4 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.228 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.811 HG13 ' N ' ' A' ' 57' ' ' GLY . 1.6 t -123.53 67.76 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.78 176.72 8.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -105.22 136.33 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.736 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -144.5 135.05 24.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.589 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 29.2 mt-10 -100.35 146.16 27.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -136.92 146.09 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.48 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -156.41 161.68 31.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.781 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -155.7 158.43 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.784 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.7 p -109.01 -23.88 11.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.94 -52.3 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.64 -26.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.19 -75.59 0.76 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.8 OUTLIER -79.87 137.2 36.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.225 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.781 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -129.39 169.03 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 116' ' ' ILE . 2.8 pp -131.99 140.21 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.589 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -133.07 153.53 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -173.09 122.25 0.39 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.736 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 3.9 mp -81.3 51.33 1.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.613 1.196 . . . . 0.0 109.368 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 120' ' ' LEU . 9.6 t-20 61.54 139.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.636 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 t -73.64 76.26 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.958 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 38.54 62.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -76.08 -78.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.29 -90.46 0.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.424 ' C ' HD13 ' A' ' 15' ' ' LEU . 9.5 mt -80.22 6.03 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -39.84 -33.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -56.41 22.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.413 1.071 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.403 ' CB ' HG22 ' A' ' 11' ' ' ILE . 1.5 tt0 -59.39 -30.13 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 110.333 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.682 HD21 ' N ' ' A' ' 81' ' ' ASP . 7.4 mp -69.73 -47.6 62.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -36.9 71.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -73.77 -27.77 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -80.93 123.27 28.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.401 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.698 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 1.0 OUTLIER 178.19 46.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.539 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.1 mm-40 -68.33 63.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' ARG . 74.4 m-20 54.42 23.13 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 20' ' ' GLN . 9.1 t -96.53 -126.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.491 ' H ' HG12 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -57.59 -70.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 39.35 57.13 2.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.751 HD12 ' HG ' ' A' ' 88' ' ' LEU . 32.2 mt -74.6 -31.3 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.636 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 1.6 pp20? -67.42 -43.33 81.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -52.27 29.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -56.11 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.824 HD12 ' HB3' ' A' ' 92' ' ' LYS . 1.4 pt? . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -64.97 -57.74 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -53.87 -32.52 53.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -80.21 -25.45 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -68.07 -41.49 81.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.551 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.5 t -51.72 -42.42 62.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 46' ' ' LEU . 1.6 mt -39.9 -55.08 2.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 66.19 59.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.71 147.81 34.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.456 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.5 Cg_endo -74.88 149.07 36.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 111.069 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.456 HG23 ' C ' ' A' ' 49' ' ' PRO . 50.9 t -153.83 154.29 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.78 141.35 18.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.643 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -157.9 147.64 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.583 HD21 ' HG2' ' A' ' 55' ' ' ARG . 2.4 tt -96.34 149.13 22.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.699 ' HB3' HD11 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -116.9 131.86 56.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 108.293 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.583 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -121.5 -172.8 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 126.42 16.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.707 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -47.38 -33.35 8.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.422 1.077 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.4 -19.39 9.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.926 HG23 HD13 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -115.6 10.67 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.389 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.471 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 6.0 tp -57.37 -41.72 80.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.876 ' HA ' HD12 ' A' ' 64' ' ' ILE . 6.1 p-10 -54.65 -48.87 71.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.3 tt0 -73.48 -39.96 64.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.926 HD13 HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -58.56 -27.78 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 61' ' ' ASP . 9.3 mt -61.44 -49.9 82.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 2.7 pttt -63.64 -33.49 75.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.518 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.2 mmp_? -73.64 -33.73 64.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.643 HD23 ' CG2' ' A' ' 52' ' ' ILE . 25.1 mt -61.93 -49.14 77.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -46.4 -51.83 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 2.8 mm-40 -53.3 -22.6 7.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.388 1.055 . . . . 0.0 110.258 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.539 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.4 mm-40 -93.51 -42.25 9.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' GLU . 75.2 m -91.7 -65.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.0 t30 -39.29 -30.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.84 -53.51 56.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.5 pp20? -93.53 4.51 53.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -124.72 -170.55 13.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 2.8 mm -91.87 162.96 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 0.738 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.486 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 6.8 t-160 -53.64 99.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.661 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.413 HG13 ' H ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -134.94 138.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.5 pt -116.78 52.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 3.4 m-70 -87.82 168.31 13.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.682 ' N ' HD21 ' A' ' 15' ' ' LEU . 70.3 m-20 -107.57 161.66 14.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.4 t -60.74 -30.23 69.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 mt -74.53 -34.58 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.656 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -77.46 -33.37 54.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -59.93 -38.16 81.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.48 82.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.234 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -46.75 61.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.751 ' HG ' HD12 ' A' ' 25' ' ' ILE . 5.6 mp -62.43 -50.12 72.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 85' ' ' LEU . 52.9 mt -62.06 -50.24 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.466 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 7.1 mtt180 -39.07 -35.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.809 ' HB3' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -67.82 -45.28 75.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.824 ' HB3' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.78 1.1 56.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.752 ' HB1' ' OD1' ' A' ' 113' ' ' ASP . . . -170.57 78.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.7 p -76.76 0.8 19.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -87.12 -96.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.45 ' HB3' HG21 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -89.86 108.95 20.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -116.54 171.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.556 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.5 p -93.11 148.54 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -122.4 -174.04 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.583 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.466 ' HD3' HD13 ' A' ' 60' ' ' LEU . 6.8 ppt_? -165.99 119.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.17 150.05 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.707 HG23 ' N ' ' A' ' 57' ' ' GLY . 14.3 p -111.41 82.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -177.26 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.94 176.98 8.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.443 ' O ' HD23 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -104.3 139.26 39.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.581 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -155.36 137.03 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.615 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 15.7 mt-10 -104.92 139.85 39.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.699 HD11 ' HB3' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -129.56 137.86 55.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.497 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -151.55 166.61 30.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.709 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.7 OUTLIER -153.2 159.07 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.3 p -112.49 -24.39 9.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 110.366 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -144.82 -52.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.752 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 0.3 OUTLIER 159.48 -26.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.95 -63.74 1.72 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.096 . . . . 0.0 110.955 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.1 mt-10 -82.75 127.71 33.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 0.736 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.709 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.8 OUTLIER -118.59 169.66 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.281 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.497 HD11 ' HA3' ' A' ' 109' ' ' GLY . 2.6 pp -132.55 140.57 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.615 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -126.38 153.14 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -169.12 116.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.581 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 3.1 mp -81.12 51.2 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 120' ' ' LEU . 10.6 t-20 61.41 141.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.3 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.15 . . . . 0.0 109.952 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.636 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.4 t -70.73 -53.77 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -175.29 68.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.465 ' HG2' ' CD1' ' A' ' 83' ' ' ILE . 9.3 tptt -84.93 -76.65 0.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -157.24 -82.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.435 HG22 HD12 ' A' ' 15' ' ' LEU . 12.9 mt -66.35 -8.35 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.97 -36.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -57.19 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.547 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -55.98 -26.34 47.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.533 HD23 HG21 ' A' ' 84' ' ' THR . 6.9 mp -77.91 -44.55 26.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -56.35 -30.86 63.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.393 1.058 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 3.6 m -77.01 -27.98 54.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.426 ' HB ' HD11 ' A' ' 79' ' ' ILE . 0.6 OUTLIER -89.69 156.87 18.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.957 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 2.5 ptt180 -176.45 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.42 ' C ' ' N ' ' A' ' 22' ' ' VAL . 1.6 tp60 47.18 22.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' ARG . 6.4 m120 46.74 23.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.42 ' N ' ' C ' ' A' ' 20' ' ' GLN . 3.8 t -117.35 -20.38 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.49 ' CB ' ' NE2' ' A' ' 80' ' ' HIS . 21.7 m -146.89 16.49 1.23 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.565 1.166 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.957 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . -71.99 59.31 0.36 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 88' ' ' LEU . 4.3 mt -72.11 -32.55 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.636 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -73.42 -40.74 64.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.546 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -68.27 -49.94 57.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -57.03 14.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.581 HD12 ' HD2' ' A' ' 92' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.09 -57.37 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -51.26 -34.57 33.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -81.97 -22.52 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.514 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -68.16 -41.03 82.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.514 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.4 t -49.33 -43.16 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.5 mt -38.97 -55.28 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.61 53.17 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.8 p -86.08 144.94 39.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.421 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.5 Cg_endo -74.98 150.96 39.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 111.019 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.458 ' C ' ' CD ' ' A' ' 51' ' ' ARG . 52.5 t -151.95 156.93 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.532 ' N ' ' CD ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -153.74 141.45 20.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.734 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -158.52 149.24 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.494 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -99.25 147.54 25.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.177 . . . . 0.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.587 ' HB2' HD11 ' A' ' 108' ' ' ILE . 49.6 t -112.08 130.3 55.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 108.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.494 ' HG2' HD21 ' A' ' 53' ' ' LEU . 2.0 mmm-85 -119.77 -173.46 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.8 128.72 24.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.845 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -50.68 -32.11 24.22 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.576 1.173 . . . . 0.0 111.025 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.33 -16.87 50.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.787 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -116.35 8.34 14.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.374 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD12 HG21 ' A' ' 63' ' ' ILE . 7.2 tp -54.0 -42.27 68.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.771 ' HA ' HD12 ' A' ' 64' ' ' ILE . 3.1 p30 -54.1 -49.35 69.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 2.6 tt0 -73.53 -41.3 63.21 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.587 HG23 HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -58.67 -28.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.82 ' HA ' HD12 ' A' ' 67' ' ' LEU . 10.0 mt -62.03 -51.97 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.428 1.08 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.523 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -60.4 -33.98 73.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.523 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.3 mmt180 -73.39 -34.86 65.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.247 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.82 HD12 ' HA ' ' A' ' 64' ' ' ILE . 6.2 mt -60.72 -48.95 79.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.633 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -45.26 -50.98 11.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.86 -23.61 45.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.53 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 2.3 mm-40 -89.72 -42.24 11.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 75' ' ' GLY . 68.5 m -91.91 -62.79 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.633 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.3 t30 -39.72 -36.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -51.51 66.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.6 pt-20 -96.84 5.92 49.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.73 -169.58 12.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 4.0 mm -93.04 163.04 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.488 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -54.66 99.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.57 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.605 ' CG1' ' CD2' ' A' ' 80' ' ' HIS . 75.7 t -134.77 134.82 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.547 HD11 ' O ' ' A' ' 14' ' ' GLU . 26.1 pt -108.19 48.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.605 ' CD2' ' CG1' ' A' ' 78' ' ' VAL . 6.8 m-70 -87.43 167.62 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.627 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.665 ' O ' HD13 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -122.66 166.11 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t -54.98 -28.69 53.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.465 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 18.5 mt -69.52 -44.84 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.637 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -76.46 -33.19 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 81' ' ' ASP . 5.7 mp -60.16 -40.83 91.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.404 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -63.31 -43.8 96.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -71.22 -51.16 26.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.069 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.637 HD22 ' CG2' ' A' ' 84' ' ' THR . 5.4 mp -58.17 -49.25 77.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 93' ' ' ALA . 71.6 mt -61.85 -49.26 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.1 -35.88 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -74.6 -43.65 54.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.581 ' HD2' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -85.21 0.78 50.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -177.8 80.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 t -78.97 3.21 17.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.189 . . . . 0.0 110.035 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -87.1 -78.81 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.6 ' CB ' HG21 ' A' ' 116' ' ' ILE . 1.0 OUTLIER -106.14 110.7 23.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.422 1.076 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.7 OUTLIER -116.03 172.48 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.9 p -95.37 140.42 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.21 -171.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.572 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -146.34 118.41 8.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.31 149.56 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.845 HG13 ' N ' ' A' ' 57' ' ' GLY . 2.0 t -127.48 65.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.9 -43.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.0 t -129.99 176.31 8.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.518 ' O ' HD23 ' A' ' 120' ' ' LEU . 67.5 t0 -101.66 136.5 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.383 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.531 ' CD1' ' HG ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -148.61 135.21 19.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 60.2 mt-10 -104.65 145.08 30.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.629 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -139.4 140.91 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.426 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -157.08 165.05 33.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.739 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -144.76 166.34 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.484 ' N ' HG13 ' A' ' 110' ' ' VAL . 82.7 p -114.93 -26.99 7.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.76 -50.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.329 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.494 ' OD1' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 159.26 -24.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.33 -75.23 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.719 ' O ' HG22 ' A' ' 110' ' ' VAL . 15.7 tt0 -78.71 153.04 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 0.713 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.739 HG22 HG23 ' A' ' 110' ' ' VAL . 1.2 pp -135.36 167.1 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 116' ' ' ILE . 1.9 pp -132.48 140.33 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 15.0 p -133.69 154.44 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -173.33 124.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.531 ' HG ' ' CD1' ' A' ' 106' ' ' PHE . 3.4 mp -81.43 51.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.9 t30 61.38 140.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.576 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLN . 80.8 p -71.59 61.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.704 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER 38.37 52.69 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -69.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -136.75 -89.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.8 mt -75.43 -0.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.704 ' HB3' ' HA ' ' A' ' 8' ' ' GLN . . . -44.4 -38.79 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -57.68 10.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 18' ' ' THR . 0.3 OUTLIER -55.17 -34.74 64.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -61.9 -53.79 50.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.064 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -52.68 -35.87 56.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 m -77.64 -27.33 51.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 110.44 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -84.35 174.99 9.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.498 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.515 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 20.6 ptt180 168.89 -43.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.614 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.7 OUTLIER 41.92 33.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 48.25 23.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.757 ' O ' HG12 ' A' ' 22' ' ' VAL . 33.2 t -93.67 61.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 1.5 t 89.37 -38.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 34.53 52.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.519 HD12 ' HG ' ' A' ' 88' ' ' LEU . 63.3 mt -49.11 -23.86 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.576 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 18.4 mp0 -72.96 -57.89 3.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.429 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 2.0 mmp_? -62.76 -34.18 76.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -65.56 -62.84 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.788 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.788 ' N ' HD22 ' A' ' 40' ' ' LEU . 22.6 t70 -73.94 -54.72 7.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -47.74 -39.87 18.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -78.26 -35.02 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG3' ' CG ' ' A' ' 92' ' ' LYS . 1.5 ttmt -52.67 -34.3 51.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' LEU . 46.6 t -48.87 -47.21 43.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 43' ' ' VAL . 1.7 mt -39.7 -58.14 1.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 60.6 55.82 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.6 p -90.05 146.54 35.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.929 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.62 35.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.5 t -148.22 161.5 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 52' ' ' ILE . 31.0 ttp85 -158.47 141.69 14.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.805 HG22 HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -163.02 148.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.371 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.805 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -99.58 148.2 24.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.55 ' HB2' HD11 ' A' ' 108' ' ' ILE . 51.6 t -108.83 127.28 53.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 108.258 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.805 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -115.3 -173.63 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.23 128.35 24.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.36 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.72 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -49.68 -34.57 21.32 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -57.51 -20.22 29.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -114.45 8.23 16.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.115 . . . . 0.0 110.439 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 9.9 tp -52.41 -41.09 62.9 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.772 ' HA ' HD12 ' A' ' 64' ' ' ILE . 11.8 p-10 -58.0 -47.69 82.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 4.1 tt0 -73.78 -41.53 62.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -56.56 -26.41 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 61' ' ' ASP . 12.8 mt -64.97 -48.97 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.895 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -62.35 -34.1 76.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.545 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 8.9 mmt180 -75.49 -35.42 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.805 HD22 HG22 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -71.28 -42.55 68.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.895 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -46.43 -44.43 17.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.2 mm-40 -54.25 -26.29 27.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.547 ' HB2' HG23 ' A' ' 52' ' ' ILE . 8.1 mm-40 -94.57 -41.75 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -83.8 -66.27 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.5 t30 -40.43 -28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.412 1.07 . . . . 0.0 109.222 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -70.53 -52.8 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 71' ' ' SER . 69.5 mm-40 -73.31 -34.62 65.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 72' ' ' ASN . . . -103.18 -168.2 25.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 1.001 ' O ' HG23 ' A' ' 78' ' ' VAL . 7.4 mm -91.8 162.34 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.465 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 1.6 t-80 -49.69 99.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.583 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 76' ' ' ILE . 25.4 t -130.74 144.65 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.525 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -112.32 50.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.782 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -86.65 138.61 31.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.522 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.699 ' H ' HD11 ' A' ' 15' ' ' LEU . 71.1 m-20 -88.63 162.68 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -27.75 38.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.554 HG23 ' NH1' ' A' ' 100' ' ' ARG . 9.8 mt -75.73 -35.69 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.672 HG22 HD22 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -80.06 -33.95 38.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.426 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.579 HD11 ' CG ' ' A' ' 80' ' ' HIS . 4.0 mp -56.27 -43.37 78.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.444 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -61.75 -41.52 97.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -71.7 -52.77 16.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.672 HD22 HG22 ' A' ' 84' ' ' THR . 4.7 mp -59.11 -36.58 75.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 93' ' ' ALA . 72.1 mt -73.4 -46.31 49.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 94' ' ' SER . 4.1 mtt180 -41.66 -41.27 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -40.94 96.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.19 0.79 56.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.71 ' HB2' ' CB ' ' A' ' 113' ' ' ASP . . . -175.77 81.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.373 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 90' ' ' ARG . 59.9 p -78.14 0.39 25.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -91.25 -80.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.594 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.487 ' CB ' HG21 ' A' ' 116' ' ' ILE . 9.4 mtt180 -100.42 109.87 22.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 110.221 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.533 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.7 OUTLIER -117.36 171.78 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.533 ' H ' HG22 ' A' ' 97' ' ' ILE . 3.4 p -95.66 122.71 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -84.92 175.24 9.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.574 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.554 ' NH1' HG23 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -142.09 100.49 3.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.147 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.1 p -106.73 149.54 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.72 HG23 ' N ' ' A' ' 57' ' ' GLY . 14.5 p -123.84 86.37 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.25 -37.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.13 176.46 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -103.89 134.91 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.774 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -149.42 136.09 19.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 111.059 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 13.2 mt-10 -103.1 146.6 28.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.609 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -138.67 143.02 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -152.23 163.08 30.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.738 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -153.19 162.09 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 0.769 . . . . 0.0 109.358 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.419 ' N ' HG13 ' A' ' 110' ' ' VAL . 80.6 p -112.82 -25.86 8.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -147.23 -52.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.71 ' CB ' ' HB2' ' A' ' 93' ' ' ALA . 0.2 OUTLIER 163.04 -27.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.91 -73.68 1.02 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.6 pm0 -78.77 136.64 37.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 0.778 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.738 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.0 OUTLIER -131.35 171.51 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 1.0 OUTLIER -133.29 146.73 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.564 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.26 153.63 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -173.99 122.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.774 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.7 mp -82.54 50.6 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.597 ' CG ' ' O ' ' A' ' 120' ' ' LEU . 6.8 p30 56.91 143.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.628 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 p -83.94 -44.81 13.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 176.62 64.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.836 ' HG2' HD12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -81.57 -76.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -158.17 -78.3 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' ALA . 13.7 mt -66.37 -7.0 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.99 -37.95 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 11.6 ptp180 -57.15 -53.83 53.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 13' ' ' ARG . 2.6 tt0 -59.62 -30.1 68.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 18' ' ' THR . 7.3 mp -70.29 -49.86 45.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -54.74 -34.74 62.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.8 m -78.83 -27.97 44.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -68.68 -170.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.585 ' N ' HG23 ' A' ' 18' ' ' THR . 0.3 OUTLIER 84.88 122.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.9 56.45 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.39 1.056 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 72.73 20.95 3.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.792 HG13 ' N ' ' A' ' 23' ' ' SER . 3.1 p -93.18 -146.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.359 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.792 ' N ' HG13 ' A' ' 22' ' ' VAL . 9.0 p -49.12 -61.08 2.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 37.78 55.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' A' ' 88' ' ' LEU . 96.7 mt -51.8 -27.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.386 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.628 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 14.4 pt-20 -72.95 -50.68 22.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 19' ' ' ARG . 2.3 ttt85 -60.89 -43.44 98.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -60.39 3.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.6 1.187 . . . . 0.0 109.328 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.854 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.854 ' N ' HD22 ' A' ' 40' ' ' LEU . 18.9 t70 -66.88 -57.0 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -52.98 -31.92 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -81.15 -27.63 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.607 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -67.06 -35.04 78.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.607 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 34.6 t -56.95 -42.4 80.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.084 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 46' ' ' LEU . 1.4 mt -38.35 -49.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.472 ' CE ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER 67.81 62.51 0.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 p -101.22 129.93 26.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.426 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.3 Cg_endo -74.96 151.28 39.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.641 HG13 ' OE2' ' A' ' 74' ' ' GLU . 41.2 t -152.31 145.45 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 131.72 26.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.746 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -151.51 147.58 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.696 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -96.5 148.66 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.641 ' CB ' HD11 ' A' ' 108' ' ' ILE . 19.3 t -112.66 126.34 55.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.64 1.213 . . . . 0.0 108.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.696 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -113.61 -173.48 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -52.21 127.07 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.837 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -47.54 -25.21 3.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.92 -35.34 79.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -100.11 8.46 43.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.369 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.726 HD22 ' HD3' ' A' ' 100' ' ' ARG . 10.0 tp -50.06 -40.42 45.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.678 ' HA ' HD12 ' A' ' 64' ' ' ILE . 5.8 p-10 -58.17 -49.67 76.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -72.42 -41.2 66.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.6 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -54.99 -31.54 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.222 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 61' ' ' ASP . 11.8 mt -63.08 -44.83 99.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.635 1.209 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.608 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -61.64 -40.71 95.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -72.16 -35.1 68.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.746 HD13 ' HB ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -64.29 -50.37 68.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.608 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.88 -44.24 29.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 2.8 mm-40 -58.07 -24.13 57.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.366 1.042 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.492 ' HB2' HG23 ' A' ' 52' ' ' ILE . 5.8 mm-40 -93.09 -40.62 10.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' GLY . 65.7 m -87.61 -65.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.5 t30 -39.21 -35.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -58.59 -52.42 65.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.216 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.641 ' OE2' HG13 ' A' ' 50' ' ' VAL . 15.8 pt-20 -93.76 6.42 48.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -127.0 -173.28 13.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.8 tp -92.42 162.75 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.4 ' N ' HG13 ' A' ' 76' ' ' ILE . 2.2 t-80 -47.55 99.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.625 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.98 138.45 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.414 ' CD1' ' HG2' ' A' ' 14' ' ' GLU . 12.0 pt -125.94 50.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.413 ' O ' HG23 ' A' ' 64' ' ' ILE . 34.4 m170 -87.64 164.41 16.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.634 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.735 ' O ' HD13 ' A' ' 85' ' ' LEU . 96.6 m-20 -98.06 172.82 7.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -29.3 66.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.836 HD12 ' HG2' ' A' ' 9' ' ' LYS . 8.6 mt -74.85 -33.69 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.561 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -74.98 -36.51 62.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.735 HD13 ' O ' ' A' ' 81' ' ' ASP . 6.0 mp -58.4 -40.7 83.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.0 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.14 -51.09 26.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.633 ' HA ' HD12 ' A' ' 25' ' ' ILE . 5.6 mp -59.04 -49.84 76.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.62 ' O ' ' N ' ' A' ' 93' ' ' ALA . 54.4 mt -61.5 -51.62 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.478 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 2.8 mtt180 -38.47 -34.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.488 ' HB2' HD13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -69.11 -48.21 63.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -90.18 1.69 56.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.683 ' HB2' ' CG ' ' A' ' 113' ' ' ASP . . . -163.52 75.16 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.9 p -81.38 6.48 14.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.52 1.138 . . . . 0.0 110.048 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -95.27 -79.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.607 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.48 112.25 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.559 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -115.73 171.98 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.559 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.3 p -88.48 132.93 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -89.84 167.09 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.53 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.726 ' HD3' HD22 ' A' ' 60' ' ' LEU . 7.5 tmm_? -141.88 100.67 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.3 p -109.43 149.6 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.837 HG23 ' N ' ' A' ' 57' ' ' GLY . 8.4 p -123.06 84.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -176.7 -38.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.23 176.55 8.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -103.06 136.98 41.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.736 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.73 138.07 17.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.595 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 44.8 mt-10 -103.64 146.62 28.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.641 HD11 ' CB ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -138.01 141.03 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.617 1.198 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.31 162.67 29.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.538 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.6 OUTLIER -148.87 161.4 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.413 ' N ' HG13 ' A' ' 110' ' ' VAL . 30.9 p -115.13 -23.26 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 110.355 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.14 -50.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.683 ' CG ' ' HB2' ' A' ' 93' ' ' ALA . 3.8 m-20 158.04 -23.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.38 -72.43 1.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 110' ' ' VAL . 12.1 mt-10 -80.04 139.3 36.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.538 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -128.22 168.12 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 116' ' ' ILE . 1.0 OUTLIER -132.3 140.95 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.595 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -130.06 153.84 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 2.0 t70 -172.11 121.15 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.736 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.8 mp -81.73 51.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.1 t-20 61.37 138.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.611 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -60.9 2.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -170.12 58.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -75.74 -78.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -148.49 -82.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.473 ' O ' HD13 ' A' ' 15' ' ' LEU . 12.3 mt -75.55 -0.13 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.25 -45.86 17.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -52.43 -48.88 65.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 1.9 tt0 -64.51 -26.67 68.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.74 ' O ' HG22 ' A' ' 18' ' ' THR . 10.1 mp -81.08 -25.62 36.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.46 -42.21 65.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 t -71.0 -27.74 63.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -72.35 160.95 31.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.64 ' CG ' ' HB2' ' A' ' 24' ' ' ALA . 1.5 ttm-85 179.25 -59.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.751 ' HB3' HG23 ' A' ' 22' ' ' VAL . 42.0 tp60 46.81 35.21 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 52.52 21.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.751 HG23 ' HB3' ' A' ' 20' ' ' GLN . 87.8 t -71.74 -110.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.646 ' N ' HG12 ' A' ' 22' ' ' VAL . 21.6 p -84.1 -40.3 18.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.64 ' HB2' ' CG ' ' A' ' 19' ' ' ARG . . . 39.09 48.95 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 56.5 mt -74.23 -22.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.611 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 2.6 tt0 -74.0 -53.47 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.496 ' CB ' ' NH2' ' A' ' 19' ' ' ARG . 3.2 mmt180 -67.35 -45.79 75.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 10.6 mmtt -59.4 -57.96 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.855 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.855 ' N ' HD22 ' A' ' 40' ' ' LEU . 23.2 t70 -63.47 -52.07 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 1.3 t80 -61.54 -30.08 70.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.1 t -80.65 -22.26 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.495 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -75.86 -41.42 52.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 33.3 t -60.4 -32.71 71.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.3 mt -38.06 -51.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.597 ' HE2' HH21 ' A' ' 112' ' ' ARG . 0.0 OUTLIER 70.84 67.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 60.1 m -118.57 134.21 23.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.068 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.482 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.0 Cg_endo -75.0 156.03 42.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.482 HG23 ' C ' ' A' ' 49' ' ' PRO . 85.3 t -155.55 159.73 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 52' ' ' ILE . 9.9 ttt180 -156.62 139.63 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.247 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.637 ' CG2' HD22 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -163.77 148.6 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.839 ' O ' HD21 ' A' ' 67' ' ' LEU . 2.7 tt -99.88 141.21 33.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.535 ' CB ' HD11 ' A' ' 108' ' ' ILE . 10.9 t -114.06 139.38 49.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.587 ' HG2' HD21 ' A' ' 53' ' ' LEU . 1.4 mtt180 -119.56 -171.76 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 110.253 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.547 ' HB3' HG23 ' A' ' 102' ' ' VAL . 7.6 mtm180 -50.47 138.2 17.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.17 -21.29 1.74 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.447 1.092 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 59' ' ' THR . 2.4 t0 -66.57 -78.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.773 HG23 HD13 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -60.19 -7.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.445 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.429 HD21 ' CG1' ' A' ' 83' ' ' ILE . 4.8 tp -47.85 -41.02 23.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.834 ' HA ' HD12 ' A' ' 64' ' ' ILE . 8.3 p-10 -53.96 -50.04 67.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.14 -35.37 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.773 HD13 HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -62.87 -24.1 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.237 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' A' ' 61' ' ' ASP . 6.3 mt -64.65 -47.93 86.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.955 ' HA ' HD23 ' A' ' 68' ' ' LEU . 4.1 pttt -67.23 -33.87 76.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.514 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 4.3 mtp180 -74.33 -34.9 63.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.839 HD21 ' O ' ' A' ' 53' ' ' LEU . 29.3 mt -71.63 -44.26 64.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.955 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -46.97 -44.61 20.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -55.58 -24.44 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.504 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.3 mm-40 -93.3 -42.37 9.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -85.74 -66.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.0 t30 -40.12 -30.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -58.32 -54.58 45.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -83.43 3.69 30.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.53 -173.2 13.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.413 1.071 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 6.2 mm -91.64 163.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.496 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 36.3 t-80 -48.8 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.633 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.75 HG21 HG11 ' A' ' 22' ' ' VAL . 12.7 t -135.66 144.54 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 pt -118.06 51.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.476 ' H ' HG12 ' A' ' 78' ' ' VAL . 64.9 m170 -87.23 166.77 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.63 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.7 ' N ' HD21 ' A' ' 15' ' ' LEU . 6.8 m-20 -117.13 163.29 16.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 m -58.54 -32.34 68.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.429 ' CG1' HD21 ' A' ' 60' ' ' LEU . 4.4 mt -69.87 -39.97 78.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.747 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -73.66 -35.12 65.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.368 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 81' ' ' ASP . 5.4 mp -60.07 -37.93 81.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.55 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -61.91 -47.0 86.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -50.09 36.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.747 HD22 ' CG2' ' A' ' 84' ' ' THR . 4.2 mp -56.63 -50.34 72.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.612 ' O ' ' N ' ' A' ' 93' ' ' ALA . 67.7 mt -60.45 -51.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.467 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -38.02 -34.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -46.9 64.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -90.0 0.63 57.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.689 ' HB2' ' CG ' ' A' ' 113' ' ' ASP . . . -167.15 77.62 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.1 t -80.3 5.08 15.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -88.29 -86.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.565 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.81 110.75 22.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 110.298 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.55 HG21 ' O ' ' A' ' 86' ' ' ALA . 0.7 OUTLIER -115.89 172.22 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.687 HG23 HG12 ' A' ' 108' ' ' ILE . 2.1 p -94.8 146.76 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -170.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.612 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.4 121.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.3 p -129.8 148.61 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 102' ' ' VAL . 12.9 p -96.45 84.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.434 ' N ' ' HG2' ' A' ' 56' ' ' ARG . 7.4 tttt -162.46 -52.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 t -135.73 176.62 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.739 ' O ' HD23 ' A' ' 120' ' ' LEU . 59.3 t0 -96.88 146.53 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.894 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.65 137.96 17.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.629 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 92.5 mt-10 -101.03 142.6 32.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.687 HG12 HG23 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -135.07 137.64 50.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.07 152.74 24.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 1.044 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -138.74 171.64 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.552 ' N ' HG13 ' A' ' 110' ' ' VAL . 4.8 p -118.46 -28.74 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 110.479 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.597 HH21 ' HE2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -149.69 -46.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.689 ' CG ' ' HB2' ' A' ' 93' ' ' ALA . 2.8 m-20 155.52 -21.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.48 -76.95 0.69 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.569 1.168 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.718 ' O ' HG22 ' A' ' 110' ' ' VAL . 19.9 tt0 -78.63 153.51 31.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 110.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 1.044 HG22 HG23 ' A' ' 110' ' ' VAL . 2.8 pp -136.44 164.86 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.365 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.5 pt -134.48 140.49 45.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.629 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -132.67 153.62 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.234 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -172.15 120.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.894 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 3.2 mp -82.07 51.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 4.4 t30 61.38 141.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.725 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' GLN . 10.5 t -76.93 71.68 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 1.8 mt-30 38.76 67.19 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.939 ' HD2' HG21 ' A' ' 83' ' ' ILE . 4.2 mttp -83.23 -76.17 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.84 -81.88 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.746 ' O ' HD13 ' A' ' 15' ' ' LEU . 7.2 mt -88.33 13.66 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.658 ' HB3' ' HA ' ' A' ' 8' ' ' GLN . . . -49.63 -39.63 36.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -54.59 -58.4 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.662 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -60.44 -24.42 65.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 11' ' ' ILE . 10.5 mp -71.29 -59.84 2.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -50.39 -33.19 19.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.7 m -70.87 -27.47 63.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.453 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.3 t -84.63 169.5 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.504 ' CB ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 164.2 -40.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.701 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.1 tp60 48.22 23.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.242 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 42.1 27.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 20' ' ' GLN . 33.9 t -123.66 4.91 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -156.46 -88.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . . . 39.82 62.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.845 HD12 ' HG ' ' A' ' 88' ' ' LEU . 40.3 mt -69.99 -23.47 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.725 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -73.79 -39.94 63.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.1 mmt-85 -70.58 -53.87 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -56.36 22.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.848 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.848 ' N ' HD22 ' A' ' 40' ' ' LEU . 9.1 t70 -66.46 -55.79 14.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -54.0 -35.35 61.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -79.26 -25.59 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -33.79 73.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' LEU . 46.6 t -59.29 -39.11 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.3 mt -39.42 -49.51 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.378 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.746 ' HE2' HH21 ' A' ' 112' ' ' ARG . 0.0 OUTLIER 68.24 64.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.34 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.9 p -105.37 140.41 21.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.481 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -74.99 160.28 40.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 110.993 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.678 HG13 ' OE2' ' A' ' 74' ' ' GLU . 67.3 t -155.27 148.41 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttp85 -146.38 137.88 24.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.277 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.702 ' CG2' HD22 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -156.12 147.64 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.729 ' O ' HD21 ' A' ' 67' ' ' LEU . 9.0 tt -95.47 149.09 21.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.914 ' HB2' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -116.62 136.79 52.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 108.289 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' HB2' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -120.95 -172.94 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -51.36 131.14 28.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.629 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -50.48 -20.44 3.76 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.085 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.487 ' H ' HG23 ' A' ' 102' ' ' VAL . 8.0 t0 -72.35 -35.86 68.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 0.784 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -102.05 10.0 39.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.576 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 14.2 tp -56.0 -40.85 73.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 62' ' ' GLU . 8.5 p-10 -56.39 -49.45 74.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -72.18 -42.05 66.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.52 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -55.62 -35.15 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.764 HD11 ' OG ' ' A' ' 82' ' ' SER . 0.6 OUTLIER -61.74 -38.75 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.764 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -64.25 -43.32 95.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.09 -34.02 68.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.729 HD21 ' O ' ' A' ' 53' ' ' LEU . 25.8 mt -67.75 -45.68 74.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -46.05 -45.37 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.416 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.5 mm-40 -55.38 -24.92 32.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 67' ' ' LEU . 8.8 mm-40 -94.25 -42.08 9.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.566 ' OG ' HD13 ' A' ' 52' ' ' ILE . 66.4 m -84.35 -67.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.913 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 68' ' ' LEU . 4.0 t30 -39.74 -30.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -63.27 -56.1 19.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.678 ' OE2' HG13 ' A' ' 50' ' ' VAL . 10.7 pt-20 -83.73 0.99 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.58 -169.37 12.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.532 HG23 HG23 ' A' ' 78' ' ' VAL . 8.5 tp -91.86 154.21 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -51.92 99.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.532 HG23 HG23 ' A' ' 76' ' ' ILE . 83.2 t -134.24 144.19 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.662 HD11 ' O ' ' A' ' 14' ' ' GLU . 10.5 pt -113.38 51.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.479 ' ND1' ' CD2' ' A' ' 88' ' ' LEU . 64.3 m170 -88.96 167.58 13.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.559 ' OD1' HD11 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -115.21 170.07 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.764 ' OG ' HD11 ' A' ' 64' ' ' ILE . 4.5 m -63.98 -32.38 73.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.939 HG21 ' HD2' ' A' ' 9' ' ' LYS . 7.1 mt -68.85 -38.1 78.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.552 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -79.48 -33.48 42.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.529 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -58.36 -35.52 72.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.24 92.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -70.79 -50.1 39.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.845 ' HG ' HD12 ' A' ' 25' ' ' ILE . 2.4 mp -60.71 -44.27 96.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.529 ' CG1' ' O ' ' A' ' 85' ' ' LEU . 4.3 mm -65.84 -46.08 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.485 ' NH1' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -42.86 -35.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 92' ' ' LYS . 0.4 OUTLIER -72.19 -36.93 69.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.776 ' HD2' HD23 ' A' ' 40' ' ' LEU . 2.3 mmtt -88.95 -6.41 57.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -171.68 79.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 90' ' ' ARG . 83.7 p -73.1 -2.59 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -85.67 -75.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.615 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.88 116.43 31.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.604 1.19 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.571 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -119.4 172.32 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.601 1.188 . . . . 0.0 109.271 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.571 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.5 p -86.42 149.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -152.83 166.44 32.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.461 ' NE ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -173.32 157.38 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 0.0 110.299 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.7 p -125.38 150.45 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 102' ' ' VAL . 9.9 p -87.71 88.68 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.2 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.66 176.37 8.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.412 ' OD1' HD21 ' A' ' 53' ' ' LEU . 11.1 t70 -96.12 162.82 13.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -178.31 135.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 16.2 mt-10 -105.9 151.87 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.914 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -141.05 143.19 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.462 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -160.17 166.03 35.03 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 1.119 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -147.5 169.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.584 0.814 . . . . 0.0 109.334 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.477 ' N ' HG13 ' A' ' 110' ' ' VAL . 4.2 p -115.51 -24.61 8.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.746 HH21 ' HE2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -155.25 -45.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 158.03 -23.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.84 -71.88 1.24 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.697 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -77.85 141.46 39.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 0.803 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 1.119 HG22 HG23 ' A' ' 110' ' ' VAL . 1.8 pp -128.84 161.7 37.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.462 HD11 ' HA3' ' A' ' 109' ' ' GLY . 2.7 pp -132.76 140.94 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -137.76 152.81 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.246 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.511 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 6.5 t0 -175.42 121.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.736 ' H ' HD23 ' A' ' 120' ' ' LEU . 2.2 pt? -97.42 39.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.37 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 120' ' ' LEU . 11.4 t-20 61.35 141.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.002 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.694 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 m -139.13 -51.88 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 0.0 109.963 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -139.8 49.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -81.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -163.74 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.45 HG22 ' CB ' ' A' ' 14' ' ' GLU . 9.1 mt -82.78 11.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.16 -32.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -57.8 11.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' CB ' HG22 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -60.12 -24.04 64.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.773 ' O ' HG22 ' A' ' 18' ' ' THR . 4.6 mp -74.23 -56.8 4.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -52.48 -29.11 23.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 10.3 m -81.87 -27.47 33.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.773 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.4 t -73.06 -174.4 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER 85.35 120.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.48 62.47 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.62 24.96 6.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.788 HG13 ' N ' ' A' ' 23' ' ' SER . 4.1 p -94.79 -143.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.788 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -41.68 -58.42 1.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.026 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 27' ' ' ARG . . . 37.08 56.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.604 HD12 ' HG ' ' A' ' 88' ' ' LEU . 23.2 mt -65.02 -28.95 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.694 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -71.48 -40.56 70.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.627 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -69.72 -44.57 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -61.84 2.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.316 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 92' ' ' LYS . 2.5 pt? . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.88 -57.12 9.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -52.5 -32.7 41.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.604 1.19 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -82.41 -23.36 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -69.07 -43.1 75.28 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 28.4 t -49.75 -42.21 45.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -38.11 -54.71 1.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 mttt 65.62 60.63 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.3 p -94.89 135.71 23.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.454 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.5 Cg_endo -75.04 151.08 38.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.454 HG23 ' C ' ' A' ' 49' ' ' PRO . 58.9 t -153.57 145.95 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 -143.78 134.42 24.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.577 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -154.02 149.7 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.704 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.5 OUTLIER -99.83 144.27 29.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.544 ' CB ' HD11 ' A' ' 108' ' ' ILE . 17.1 t -108.86 127.86 54.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 108.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.704 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -112.42 -173.77 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -52.51 128.2 25.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.239 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.79 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -50.26 -29.94 16.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.45 1.094 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.73 -21.04 60.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -113.17 6.94 17.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.448 HD11 ' HG3' ' A' ' 100' ' ' ARG . 7.4 tp -50.39 -41.79 52.52 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.57 1.169 . . . . 0.0 109.228 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.868 ' HA ' HD12 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -55.15 -49.99 70.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.441 1.088 . . . . 0.0 109.235 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.66 -37.62 65.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.565 HG23 ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -61.0 -25.3 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' A' ' 61' ' ' ASP . 8.5 mt -63.62 -50.4 78.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.595 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.2 ptpt -64.71 -33.46 76.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 4.5 mmt85 -73.83 -34.34 64.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.266 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.577 HD23 ' CG2' ' A' ' 52' ' ' ILE . 23.9 mt -66.79 -50.5 62.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.611 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -46.92 -45.97 20.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.64 -23.47 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.503 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.1 mm-40 -92.65 -40.3 10.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 74' ' ' GLU . 11.5 m -89.18 -64.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 68' ' ' LEU . 13.5 t30 -38.8 -34.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -53.64 55.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' SER . 4.9 pt-20 -90.74 5.46 48.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 1.186 . . . . 0.0 110.354 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.33 -172.44 13.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.589 1.18 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.8 tp -91.87 161.01 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.39 98.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.588 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.581 HG13 ' CD2' ' A' ' 80' ' ' HIS . 2.3 t -135.37 136.77 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.538 HD11 ' HB ' ' A' ' 18' ' ' THR . 5.2 pt -121.34 45.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.581 ' CD2' HG13 ' A' ' 78' ' ' VAL . 77.6 m-70 -88.38 166.25 14.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.618 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.656 ' OD1' HD11 ' A' ' 15' ' ' LEU . 12.4 m-20 -104.58 168.37 9.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 109.334 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p -63.19 -29.6 70.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.066 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.447 HD11 HD23 ' A' ' 60' ' ' LEU . 11.4 mt -72.74 -40.65 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.633 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -71.52 -34.85 70.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.348 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.589 HD13 ' O ' ' A' ' 81' ' ' ASP . 4.0 mp -60.17 -40.63 90.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.31 -44.0 92.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.35 -49.7 39.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.633 HD13 HG23 ' A' ' 84' ' ' THR . 6.5 mp -59.48 -49.82 76.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' A' ' 93' ' ' ALA . 73.8 mt -62.5 -51.45 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.178 . . . . 0.0 109.387 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.508 ' HG3' HG21 ' A' ' 97' ' ' ILE . 6.7 mtm180 -37.65 -34.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' HB3' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -68.81 -48.14 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.275 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.638 ' HB3' HD12 ' A' ' 40' ' ' LEU . 1.2 ptmt -91.11 1.08 57.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.627 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -160.57 73.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.0 p -79.58 3.29 19.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -91.66 -88.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.135 . . . . 0.0 109.575 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 114' ' ' GLY . 6.8 mtp180 -98.85 110.54 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.524 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -117.84 172.09 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.524 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.6 p -95.4 129.53 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -88.37 -174.84 4.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.637 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.448 ' HG3' HD11 ' A' ' 60' ' ' LEU . 7.3 tmm_? -152.4 100.68 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.4 p -105.71 149.63 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.79 HG23 ' N ' ' A' ' 57' ' ' GLY . 14.7 p -125.11 87.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.98 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 t -135.39 176.63 8.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.952 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.64 ' O ' HD23 ' A' ' 120' ' ' LEU . 1.9 t0 -98.6 138.58 35.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.801 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -153.86 137.66 16.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 48.9 mt-10 -104.78 146.14 29.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -140.47 140.2 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.45 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -157.04 167.0 33.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 1.08 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -147.26 168.16 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.507 ' N ' HG13 ' A' ' 110' ' ' VAL . 54.8 p -116.77 -26.72 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.447 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.41 -49.47 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.234 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 157.25 -22.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.51 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -76.07 -72.55 1.07 Allowed Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.746 ' O ' HG22 ' A' ' 110' ' ' VAL . 19.4 tp10 -78.81 154.8 29.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 0.73 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 1.08 HG22 HG23 ' A' ' 110' ' ' VAL . 2.2 pp -136.85 162.04 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.45 HD11 ' HA3' ' A' ' 109' ' ' GLY . 2.6 pp -132.5 140.3 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.592 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.83 153.69 30.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -172.85 124.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.801 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.6 mp -84.21 50.22 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 3.9 t-20 61.21 141.56 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.956 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.609 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 t 55.93 -84.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.068 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' TRP . 0.5 OUTLIER -160.76 69.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 tptt -83.58 -80.35 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -139.8 -76.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.4 mt -77.66 1.53 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.39 -35.27 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -56.43 21.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.328 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.924 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -56.18 -30.67 62.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.264 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.554 HD11 ' OD1' ' A' ' 81' ' ' ASP . 11.1 mp -71.63 -48.39 48.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -34.01 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.0 m -74.84 -28.73 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.14 134.46 36.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.521 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 2.6 ptt180 173.72 60.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -69.23 60.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.756 ' O ' HG23 ' A' ' 22' ' ' VAL . 11.9 t30 44.46 28.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 21' ' ' ASN . 1.9 t -165.12 124.23 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER 83.53 2.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.521 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . -76.55 59.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.669 HD12 ' HG ' ' A' ' 88' ' ' LEU . 6.1 mt -65.52 -27.15 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.609 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 59.5 mt-10 -71.56 -48.51 48.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.478 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -67.61 -51.34 51.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -51.67 59.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.833 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.833 ' N ' HD22 ' A' ' 40' ' ' LEU . 10.5 t70 -67.94 -56.43 9.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -52.78 -31.42 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -83.11 -26.63 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -65.18 -44.38 88.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 109.218 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.4 t -47.1 -45.63 22.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 46' ' ' LEU . 1.4 mt -39.05 -55.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.36 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 61.03 54.13 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -91.21 150.87 42.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.057 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.453 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.3 Cg_endo -75.01 147.69 34.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 49' ' ' PRO . 60.2 t -153.67 160.76 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 50' ' ' VAL . 7.6 ttt180 -160.72 134.07 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.569 ' HB ' HD22 ' A' ' 67' ' ' LEU . 1.1 pt -154.0 148.05 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.651 HD21 ' OD1' ' A' ' 105' ' ' ASP . 2.0 tp -100.15 148.17 24.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.462 ' HB3' HD11 ' A' ' 108' ' ' ILE . 2.4 t -107.79 130.21 54.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 108.265 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG3' ' CG1' ' A' ' 63' ' ' ILE . 3.8 mmm180 -113.87 -173.19 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' HG3' ' HB ' ' A' ' 59' ' ' THR . 4.9 ptt180 -52.1 128.41 24.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.669 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -53.78 -26.31 32.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.06 -29.97 70.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 0.731 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.419 ' HB ' ' HG3' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -105.54 7.57 32.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.541 HD12 HG21 ' A' ' 63' ' ' ILE . 11.5 tp -49.33 -41.18 37.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.847 ' HA ' HD12 ' A' ' 64' ' ' ILE . 6.9 p-10 -55.17 -49.48 71.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.39 -38.79 63.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.224 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.541 HG21 HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -59.35 -26.02 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.847 HD12 ' HA ' ' A' ' 61' ' ' ASP . 9.1 mt -63.48 -49.28 83.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.848 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -66.08 -33.63 76.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.469 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -73.43 -34.95 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.376 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.569 HD22 ' HB ' ' A' ' 52' ' ' ILE . 8.9 mt -68.89 -49.01 61.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.848 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -47.58 -44.49 26.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.22 -24.6 28.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.412 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.3 mm-40 -93.86 -41.16 9.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' GLU . 69.9 m -86.08 -67.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.042 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.3 t30 -39.82 -30.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.54 -53.64 55.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.9 pp20? -91.45 6.9 43.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.4 -169.61 12.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 76' ' ' ILE . 6.4 tp -91.8 163.49 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.561 0.801 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.68 99.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.647 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 80' ' ' HIS . 2.7 t -134.93 138.99 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.924 HD11 ' O ' ' A' ' 14' ' ' GLU . 1.3 pt -114.64 48.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.629 1.206 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.745 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 3.8 m-70 -87.49 167.16 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.64 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.554 ' OD1' HD11 ' A' ' 15' ' ' LEU . 27.8 m-20 -110.91 172.09 7.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -66.61 -31.58 72.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.9 mt -71.12 -35.3 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.621 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -77.64 -33.71 53.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -59.22 -40.3 85.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.53 98.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -51.97 21.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.745 ' CD2' ' CD2' ' A' ' 80' ' ' HIS . 4.1 mp -57.86 -50.28 73.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.835 HD13 ' NH2' ' A' ' 96' ' ' ARG . 97.6 mt -62.47 -48.94 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.386 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.497 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 1.6 mtm-85 -39.3 -35.48 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.01 -43.71 52.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.59 ' CB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -85.46 -1.4 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.749 ' HB1' ' HG3' ' A' ' 96' ' ' ARG . . . -179.14 84.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.483 ' O ' HD11 ' A' ' 97' ' ' ILE . 19.3 t -69.33 -6.99 33.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -71.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.632 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.835 ' NH2' HD13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -78.72 104.57 9.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.497 ' CD1' ' HG2' ' A' ' 90' ' ' ARG . 3.7 mt -128.64 162.1 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.03 116.16 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -83.37 -174.06 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.567 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.42 109.58 1.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.247 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.7 p -107.2 149.45 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.669 HG23 ' N ' ' A' ' 57' ' ' GLY . 11.8 p -119.59 86.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -176.65 -42.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 t -135.89 176.71 8.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.651 ' OD1' HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -88.78 142.57 27.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.513 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 7.7 t80 -141.04 166.13 25.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.726 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -137.16 143.54 42.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.818 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -148.76 134.28 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.94 163.88 36.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.915 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -141.98 171.61 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.578 ' N ' HG13 ' A' ' 110' ' ' VAL . 49.4 p -117.66 -29.58 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.95 -47.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.6 OUTLIER 157.62 -21.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.87 -71.74 1.17 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.776 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.3 pt-20 -77.86 154.83 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.617 0.834 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.915 HG22 HG23 ' A' ' 110' ' ' VAL . 2.6 pp -139.08 159.5 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 18.0 pt -129.75 140.59 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.726 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -146.34 153.95 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 106' ' ' PHE . 1.8 t70 -161.22 176.08 11.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.72 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -113.0 1.63 15.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 120' ' ' LEU . 28.2 t-20 37.91 44.27 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.661 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.59 -47.03 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.48 51.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.777 ' HD2' HG21 ' A' ' 83' ' ' ILE . 10.1 mmtp -71.56 -77.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.428 ' CE ' ' HB3' ' A' ' 61' ' ' ASP . 3.9 ttmm -151.23 -86.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.606 HG22 ' HB3' ' A' ' 14' ' ' GLU . 7.6 mt -76.66 6.27 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.81 -34.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 11' ' ' ILE . 1.9 mmm180 -58.3 -57.49 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.81 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -59.11 -25.8 64.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.967 ' O ' HG22 ' A' ' 18' ' ' THR . 7.9 mp -72.19 -54.72 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 tptm -53.02 -32.13 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -71.29 -27.43 63.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.967 HG22 ' O ' ' A' ' 15' ' ' LEU . 4.3 t -80.66 -150.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.776 ' N ' HG23 ' A' ' 18' ' ' THR . 0.8 OUTLIER 79.92 49.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -66.94 70.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.9 t30 51.58 31.72 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.598 HG11 ' CG2' ' A' ' 76' ' ' ILE . 2.2 t -156.28 122.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.243 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 3.4 p 83.49 15.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.014 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.709 ' HB1' ' HG2' ' A' ' 27' ' ' ARG . . . -77.81 63.75 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.675 HD12 ' HG ' ' A' ' 88' ' ' LEU . 52.4 mt -78.68 -14.08 13.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.661 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 4.0 pm0 -76.65 -44.39 34.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.324 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.709 ' HG2' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -79.14 -37.63 38.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -52.98 43.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.409 HD13 HG12 ' A' ' 25' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -74.0 -55.01 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.399 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -47.4 -35.8 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.922 HG22 HD11 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -81.21 -37.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -49.59 -40.06 37.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 31.7 t -55.41 -18.14 6.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.922 HD11 HG22 ' A' ' 43' ' ' VAL . 8.5 mt -41.86 -34.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.774 ' HD2' HH21 ' A' ' 112' ' ' ARG . 9.8 ttpt 90.51 77.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 109.355 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.58 110.2 37.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.968 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.436 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -75.1 151.59 39.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.436 HG23 ' C ' ' A' ' 49' ' ' PRO . 57.7 t -153.14 161.14 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' N ' HG12 ' A' ' 50' ' ' VAL . 59.7 ttt180 -161.02 135.31 7.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.573 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -154.95 148.59 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.789 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -98.51 147.08 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.71 ' HB2' HD11 ' A' ' 108' ' ' ILE . 8.3 t -107.52 135.0 49.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.313 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.789 ' HG2' HD21 ' A' ' 53' ' ' LEU . 3.6 mmm180 -117.87 -174.47 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.44 ' CG ' ' HB ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -53.7 127.32 25.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.746 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -49.51 -31.24 14.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.85 -23.77 61.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -111.55 8.04 20.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.475 HD12 HG21 ' A' ' 63' ' ' ILE . 10.2 tp -49.53 -41.21 40.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.746 ' HA ' HD12 ' A' ' 64' ' ' ILE . 8.2 p-10 -56.21 -50.24 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -41.19 65.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.373 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.475 HG21 HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -55.44 -31.24 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 61' ' ' ASP . 10.3 mt -61.29 -47.51 93.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -61.1 -37.07 81.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.0 65.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.239 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.573 HD23 ' CG2' ' A' ' 52' ' ' ILE . 27.6 mt -63.44 -51.61 64.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -47.66 -47.02 29.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.542 ' N ' HD12 ' A' ' 68' ' ' LEU . 3.4 mm-40 -60.28 -22.1 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.486 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 2.6 mm-40 -93.32 -40.99 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 74' ' ' GLU . 12.7 m -88.9 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 68' ' ' LEU . 6.6 t-20 -39.51 -33.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.67 -51.17 68.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.5 pm0 -98.47 8.84 44.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.16 -169.79 12.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.598 ' CG2' HG11 ' A' ' 22' ' ' VAL . 7.2 mm -91.75 162.64 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 109.354 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.473 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -53.18 96.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.613 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.72 143.92 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.81 HD11 ' O ' ' A' ' 14' ' ' GLU . 4.9 pt -125.79 52.96 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 9.2 m-70 -86.92 167.42 14.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.612 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.793 ' O ' HD13 ' A' ' 85' ' ' LEU . 66.2 m-20 -107.45 163.7 12.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.9 t -59.27 -31.94 69.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.083 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.777 HG21 ' HD2' ' A' ' 9' ' ' LYS . 8.5 mt -70.83 -36.96 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.7 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -78.88 -29.94 44.7 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 81' ' ' ASP . 6.1 mp -61.88 -41.58 98.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.421 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -63.44 -43.31 97.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -71.38 -50.61 30.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.167 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.7 HD13 HG23 ' A' ' 84' ' ' THR . 6.3 mp -58.85 -49.13 78.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 92' ' ' LYS . 79.4 mt -62.59 -49.55 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 94' ' ' SER . 7.1 mtp180 -38.95 -35.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -44.26 70.91 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.57 1.169 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -87.87 -0.39 56.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.302 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -175.65 80.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.38 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 90' ' ' ARG . 32.3 p -79.96 3.51 19.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.059 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -89.17 -81.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.545 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.519 ' HB3' HG21 ' A' ' 116' ' ' ILE . 1.2 mtp85 -99.17 104.63 16.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -115.46 171.52 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 109.29 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.632 HG23 HG12 ' A' ' 108' ' ' ILE . 2.1 p -95.38 147.47 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.34 -168.87 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.618 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 5.0 ppt_? -154.35 106.98 2.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 p -107.25 149.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.746 HG23 ' N ' ' A' ' 57' ' ' GLY . 14.5 p -128.93 85.53 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.21 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.82 176.51 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.929 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.84 134.53 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 119' ' ' ASP . 0.2 OUTLIER -137.44 174.16 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 111.057 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.513 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 37.0 mt-10 -154.92 144.84 21.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.71 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -141.06 144.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.76 166.21 33.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.078 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -151.97 170.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.507 0.769 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.511 ' N ' HG13 ' A' ' 110' ' ' VAL . 3.3 p -115.5 -27.28 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.774 HH21 ' HD2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -153.16 -44.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.523 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 159.04 -22.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.93 -75.52 0.95 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.687 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -81.71 141.67 33.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 110.282 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.625 HG22 HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -133.75 170.84 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.8 pp -131.77 141.41 45.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 14.6 p -130.2 156.72 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 106' ' ' PHE . 2.6 t0 -162.46 162.09 27.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.226 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.719 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -105.18 8.68 34.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 120' ' ' LEU . 26.2 t-20 39.3 43.77 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.977 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.662 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.11 76.3 9.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.155 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 38.66 60.89 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HG2' HG21 ' A' ' 83' ' ' ILE . 4.1 tptt -74.44 -77.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -133.4 -92.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 12' ' ' ALA . 8.7 mt -76.0 3.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.73 -34.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -57.45 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.663 ' O ' HD11 ' A' ' 79' ' ' ILE . 3.0 tt0 -61.99 -22.82 65.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.185 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.98 HD11 ' OD2' ' A' ' 81' ' ' ASP . 10.4 mp -76.7 -40.69 47.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -65.55 -32.72 74.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -70.73 -28.49 64.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.414 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 15' ' ' LEU . 3.0 t -82.65 -150.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.344 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.797 ' N ' HG23 ' A' ' 18' ' ' THR . 2.5 ptt180 92.34 -24.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.608 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.4 tp60 35.01 46.68 0.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.7 m-20 36.28 32.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 20' ' ' GLN . 3.0 t -116.22 0.88 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.7 t -148.97 -88.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.061 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 47.02 60.31 3.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.707 HD12 ' HG ' ' A' ' 88' ' ' LEU . 96.3 mt -65.67 -21.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.662 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -73.99 -39.86 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.178 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -54.6 11.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -56.77 -55.65 31.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.607 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.491 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 8.5 t70 -76.56 -57.91 3.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -51.88 -36.82 49.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.66 -30.73 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -50.71 -48.93 58.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -41.67 -30.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 46' ' ' LEU . 9.2 mt -87.82 40.64 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -55.53 -54.16 47.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER 51.83 173.33 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 110.048 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.2 Cg_endo -75.02 117.68 4.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.44 146.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -160.5 135.45 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -142.95 147.64 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' O ' HD21 ' A' ' 67' ' ' LEU . 5.6 tt -94.59 147.36 23.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.765 ' HB2' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -113.04 128.61 56.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 1.083 . . . . 0.0 108.287 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HB2' ' CG1' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -117.57 -173.88 2.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.5 128.88 27.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.882 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -49.81 -25.38 7.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.095 . . . . 0.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.91 -26.35 65.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 0.811 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -106.28 7.95 31.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 tp -51.95 -42.79 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.812 ' HA ' HD12 ' A' ' 64' ' ' ILE . 2.9 p30 -54.5 -47.72 72.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -73.64 -40.78 63.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.594 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -60.15 -26.58 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 61' ' ' ASP . 7.1 mt -62.35 -51.73 68.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -61.31 -34.37 75.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.513 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 5.9 mmt180 -72.79 -34.34 66.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.232 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.594 ' CD2' HD12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -60.75 -50.8 72.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -46.61 -50.86 16.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.5 mm-40 -50.27 -24.41 2.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.6 mm-40 -94.28 -42.23 9.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -88.02 -65.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.026 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' A' ' 68' ' ' LEU . 1.8 t30 -39.49 -30.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.201 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -61.26 -55.18 34.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.7 pp20? -92.18 4.01 54.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -123.08 -173.07 13.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 9.0 tp -91.92 157.95 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.92 98.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.626 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.663 HG13 ' CD2' ' A' ' 80' ' ' HIS . 2.1 t -135.17 140.94 44.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.663 HD11 ' O ' ' A' ' 14' ' ' GLU . 23.6 pt -115.69 50.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.69 ' HB2' HD11 ' A' ' 85' ' ' LEU . 52.2 m170 -87.05 161.26 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.597 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.98 ' OD2' HD11 ' A' ' 15' ' ' LEU . 3.5 m-20 -111.89 162.52 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -33.1 68.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' A' ' 9' ' ' LYS . 39.6 mt -68.3 -40.65 82.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.738 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -77.94 -34.16 51.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 80' ' ' HIS . 5.2 mp -59.77 -41.37 90.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.56 80.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -71.24 -50.69 30.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.738 HD22 ' CG2' ' A' ' 84' ' ' THR . 6.3 mp -56.66 -37.41 70.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 93' ' ' ALA . 6.6 mm -73.46 -50.36 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.478 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 3.8 mtt85 -39.32 -35.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 1.8 mm-40 -69.03 -45.13 71.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.366 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.21 0.88 56.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.61 ' HB1' ' OD1' ' A' ' 113' ' ' ASP . . . -175.18 81.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.6 p -79.53 3.89 17.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -90.27 -86.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.666 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.657 ' HB3' HG21 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -93.19 104.15 16.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 110.265 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 98' ' ' VAL . 1.4 mp -111.87 171.17 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.543 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.9 p -100.7 149.26 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -124.13 -171.81 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.603 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.409 ' NE ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -148.12 135.75 20.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.2 p -117.62 149.55 19.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.882 HG13 ' N ' ' A' ' 57' ' ' GLY . 1.5 t -124.01 65.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.76 -43.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.163 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.7 t -132.85 176.35 8.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.52 135.17 33.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -131.67 170.36 14.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 45.8 mt-10 -152.17 142.61 22.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.765 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -142.39 141.04 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -155.3 162.6 31.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.876 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.6 OUTLIER -153.29 160.76 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.402 ' N ' HG13 ' A' ' 110' ' ' VAL . 78.9 p -113.79 -24.15 9.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.507 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -145.77 -52.01 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.61 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 2.0 t0 155.55 -23.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.357 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.9 -66.97 1.65 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.583 1.177 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.55 122.67 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.271 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.876 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.8 OUTLIER -116.76 169.12 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.763 ' N ' HD12 ' A' ' 116' ' ' ILE . 2.7 pp -132.16 141.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -131.19 153.87 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.73 166.85 26.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.712 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -112.93 3.55 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 120' ' ' LEU . 6.9 t-20 60.86 141.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.061 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.71 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.0 m -142.21 22.12 2.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.09 35.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.581 ' CD ' HG21 ' A' ' 83' ' ' ILE . 9.3 mmpt? -97.98 -89.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.95 -79.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mt -76.79 1.41 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.26 -35.28 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 -54.93 -57.36 11.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 17' ' ' THR . 3.7 tt0 -57.89 -39.57 78.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.771 ' CD2' HG21 ' A' ' 84' ' ' THR . 0.2 OUTLIER -62.05 -41.42 98.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -58.89 -43.01 90.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -65.23 -27.77 68.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -93.65 125.76 38.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.525 HH21 HD11 ' A' ' 88' ' ' LEU . 4.4 mtt180 159.09 50.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -69.4 58.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 75.8 m-20 57.07 28.06 14.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.629 ' O ' HG12 ' A' ' 22' ' ' VAL . 39.2 t -98.68 9.83 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER 171.65 -64.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.987 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 39.54 57.56 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.838 HD12 ' HG ' ' A' ' 88' ' ' LEU . 94.7 mt -75.83 -27.52 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.71 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 1.9 pp20? -65.78 -46.59 78.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.429 ' CG ' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -71.93 -52.3 17.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -44.06 74.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.864 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.864 ' N ' HD22 ' A' ' 40' ' ' LEU . 7.5 t70 -66.86 -56.49 10.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -50.57 -34.71 26.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 111.052 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.44 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -83.04 -22.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -65.87 -41.59 91.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 46.6 t -45.73 -44.95 14.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -37.54 -49.3 1.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.4 mttt 67.55 64.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.67 137.35 32.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 138.84 23.61 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.58 149.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.69 131.74 18.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 110.341 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.818 HG22 HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -153.85 148.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.8 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -98.91 148.46 23.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.453 ' CB ' HD11 ' A' ' 108' ' ' ILE . 2.6 t -111.51 124.58 52.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 108.247 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.8 ' HG2' HD21 ' A' ' 53' ' ' LEU . 2.0 mmm180 -112.63 -172.79 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.7 128.44 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.554 ' HA2' ' HB2' ' A' ' 60' ' ' LEU . . . -48.89 -33.94 14.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.57 -35.02 73.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -98.41 7.68 45.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.396 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.554 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 7.9 tp -56.18 -42.42 77.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.845 ' HA ' HD12 ' A' ' 64' ' ' ILE . 4.7 p-10 -53.77 -48.27 69.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.2 -39.98 62.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -61.87 -24.29 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.845 HD12 ' HA ' ' A' ' 61' ' ' ASP . 8.7 mt -64.38 -49.32 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.189 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 1.012 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -65.72 -34.64 78.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.364 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 2.7 mmt180 -72.86 -35.19 67.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.818 HD22 HG22 ' A' ' 52' ' ' ILE . 1.1 mt -72.29 -44.39 62.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.012 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.22 -46.12 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.6 mt-10 -55.06 -23.66 21.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.1 mm-40 -93.29 -40.82 10.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 73' ' ' LYS . 54.7 m -89.46 -66.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.967 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -39.73 -29.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -56.88 -53.44 57.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.2 pp20? -86.01 3.86 40.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.61 -172.78 14.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -90.89 163.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.806 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.487 ' N ' HD13 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -53.76 97.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.585 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.616 HG11 ' ND1' ' A' ' 80' ' ' HIS . 47.4 t -136.63 145.75 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.533 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -110.83 49.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.616 ' ND1' HG11 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -85.72 153.53 22.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.524 ' HA ' HG23 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -112.92 167.18 10.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.416 1.072 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 56.7 m -53.81 -25.81 21.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.029 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.581 HG21 ' CD ' ' A' ' 9' ' ' LYS . 10.8 mt -73.71 -45.1 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.772 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -78.48 -32.29 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.362 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.592 HD11 ' CD2' ' A' ' 80' ' ' HIS . 1.7 mp -57.72 -44.82 86.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.28 86.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CD1' ' NE1' ' A' ' 6' ' ' TRP . 0.3 OUTLIER -72.51 -50.27 27.05 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.558 1.161 . . . . 0.0 110.963 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.838 ' HG ' HD12 ' A' ' 25' ' ' ILE . 6.7 mp -64.66 -37.16 86.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 85' ' ' LEU . 51.9 mt -71.77 -49.46 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.468 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 5.8 mtt180 -39.36 -39.96 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.459 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 2.6 mm-40 -63.93 -43.68 95.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ILE . 2.3 ptmt -88.59 -0.99 57.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.618 ' HB2' ' CG ' ' A' ' 113' ' ' ASP . . . -169.2 79.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' ARG . 11.5 p -76.67 -0.45 23.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -84.77 -94.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -95.18 114.02 25.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.255 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.549 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -119.33 172.6 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.549 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.4 p -97.37 131.2 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.418 ' CG ' ' H ' ' A' ' 100' ' ' ARG . 4.2 t-160 -102.6 -176.57 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.622 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -148.01 110.75 4.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.3 p -106.52 150.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 102' ' ' VAL . 7.7 p -121.09 87.21 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.25 -42.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.5 p -135.57 176.33 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.731 ' O ' HD23 ' A' ' 120' ' ' LEU . 42.3 t0 -95.48 134.04 38.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.234 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.63 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -145.28 134.98 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.621 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 43.8 mt-10 -106.69 144.62 33.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.48 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -136.59 137.42 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -150.89 150.33 22.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.744 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.8 OUTLIER -141.21 158.24 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.1 p -116.04 -21.32 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.349 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -142.41 -54.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.618 ' CG ' ' HB2' ' A' ' 93' ' ' ALA . 6.1 m-20 154.02 -23.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.18 -68.87 1.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -86.88 135.32 33.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 0.794 . . . . 0.0 110.299 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.913 HD12 ' N ' ' A' ' 117' ' ' ILE . 0.6 OUTLIER -124.33 172.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.913 ' N ' HD12 ' A' ' 116' ' ' ILE . 1.5 pt -133.12 140.34 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.654 HG13 HD11 ' A' ' 116' ' ' ILE . 17.9 m -124.16 153.4 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -168.65 113.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.731 HD23 ' O ' ' A' ' 105' ' ' ASP . 1.8 mp -82.84 50.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' LEU . 51.4 t-20 39.65 43.66 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.66 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.36 67.28 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.545 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 0.3 OUTLIER 50.77 56.32 8.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.22 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -73.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -136.02 -85.56 0.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.68 HG22 ' HB2' ' A' ' 14' ' ' GLU . 8.6 mt -84.33 13.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.545 ' HB3' ' HA ' ' A' ' 8' ' ' GLN . . . -45.04 -32.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -57.21 -58.33 8.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.924 ' O ' HD11 ' A' ' 79' ' ' ILE . 3.0 mt-10 -59.91 -28.55 67.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.626 HD23 HG21 ' A' ' 84' ' ' THR . 7.2 mp -69.82 -47.09 64.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -57.57 -37.24 72.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 m -67.69 -28.83 68.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -88.94 127.09 35.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.364 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.794 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 6.4 ttp-105 176.38 37.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.45 71.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' ARG . 51.4 m-80 53.48 32.81 14.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.793 HG13 ' N ' ' A' ' 23' ' ' SER . 2.6 p -94.77 -147.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.793 ' N ' HG13 ' A' ' 22' ' ' VAL . 3.6 m -43.1 -55.45 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.794 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . . . 38.27 44.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 88' ' ' LEU . 98.0 mt -71.45 -20.25 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.66 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 11.0 pt-20 -73.15 -52.38 14.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.444 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -65.67 -45.7 81.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -60.39 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.83 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.83 ' N ' HD22 ' A' ' 40' ' ' LEU . 8.9 t70 -68.26 -56.26 9.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -52.11 -36.92 52.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -80.21 -24.45 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -36.62 82.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' LEU . 48.4 t -52.56 -43.37 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -38.28 -56.19 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER 66.37 61.61 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 m -103.65 141.25 22.11 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.495 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -75.03 160.07 40.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.495 HG23 ' C ' ' A' ' 49' ' ' PRO . 70.1 t -156.09 160.0 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.206 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.401 ' N ' HG12 ' A' ' 50' ' ' VAL . 10.5 ttt180 -155.62 130.3 9.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.833 ' HB ' HD22 ' A' ' 67' ' ' LEU . 4.9 pt -148.23 148.3 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.69 ' O ' HD21 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -102.57 142.74 33.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.56 ' CB ' HD11 ' A' ' 108' ' ' ILE . 41.1 t -109.63 134.42 51.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.241 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.46 ' CG ' HD21 ' A' ' 53' ' ' LEU . 5.3 mtm180 -118.32 -172.95 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -51.47 127.62 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.805 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -48.37 -29.93 7.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.12 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.31 -27.92 66.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 0.813 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -107.71 8.67 29.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.495 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 11.2 tp -50.4 -41.27 51.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.767 ' HA ' HD12 ' A' ' 64' ' ' ILE . 5.4 p-10 -56.96 -49.68 74.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -72.53 -40.55 66.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.251 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.1 -33.16 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' ' 61' ' ' ASP . 10.2 mt -59.75 -45.42 94.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -62.62 -37.81 87.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -35.35 66.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.833 HD22 ' HB ' ' A' ' 52' ' ' ILE . 11.3 mt -63.57 -51.33 65.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -47.71 -45.87 29.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 2.3 mm-40 -57.71 -23.4 51.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.626 ' HB2' HG22 ' A' ' 52' ' ' ILE . 5.9 mm-40 -93.19 -41.24 10.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 74' ' ' GLU . 68.2 m -87.3 -65.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.951 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.5 t30 -39.19 -30.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -61.76 -53.82 50.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.6 pt-20 -95.22 7.72 45.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.81 -171.84 13.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.3 tp -91.53 163.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -54.09 98.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 109.67 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.643 ' CG2' HG21 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -134.73 137.96 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.302 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.924 HD11 ' O ' ' A' ' 14' ' ' GLU . 2.0 pt -116.08 48.57 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 28.5 m170 -86.99 167.1 14.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.546 ' H ' HD21 ' A' ' 15' ' ' LEU . 75.7 m-20 -108.84 173.18 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.466 ' OG ' HD12 ' A' ' 67' ' ' LEU . 15.3 m -69.29 -31.01 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.0 mt -74.67 -37.15 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.748 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -72.75 -39.01 67.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 81' ' ' ASP . 3.6 mp -59.68 -41.15 90.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.548 ' CB ' ' NH2' ' A' ' 100' ' ' ARG . . . -60.01 -46.92 87.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.89 -50.85 21.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.748 HD22 ' CG2' ' A' ' 84' ' ' THR . 6.0 mp -55.61 -52.32 64.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.83 HG22 ' CD1' ' A' ' 97' ' ' ILE . 48.0 mt -61.51 -50.03 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.541 ' CG ' HG13 ' A' ' 97' ' ' ILE . 1.6 mtt85 -37.72 -34.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -46.91 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.757 ' CB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.04 1.26 55.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.824 ' O ' HD11 ' A' ' 97' ' ' ILE . . . -169.61 79.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.8 p -83.4 15.13 3.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -96.88 -88.86 0.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 109.634 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HD3' HD12 ' A' ' 116' ' ' ILE . 2.1 mtp180 -100.35 104.56 16.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.83 ' CD1' HG22 ' A' ' 89' ' ' ILE . 38.0 mm -113.99 167.57 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.517 ' N ' HG22 ' A' ' 97' ' ' ILE . 2.2 p -87.9 148.18 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -111.61 179.31 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.572 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.548 ' NH2' ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER -141.02 101.67 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 p -102.09 145.07 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.805 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.5 p -122.8 85.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.03 -41.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.3 t -135.34 176.38 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.03 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -97.89 134.82 40.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.487 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -146.97 138.76 24.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.586 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 15.0 mt-10 -103.77 146.41 28.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.568 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -138.56 143.87 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -159.78 164.51 34.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.951 HG23 HG22 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -148.93 168.74 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.466 ' N ' HG13 ' A' ' 110' ' ' VAL . 3.2 p -114.2 -24.93 8.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -155.8 -44.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 110.34 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.493 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 157.72 -22.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.438 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -78.2 -75.0 0.99 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.655 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.3 mt-10 -78.46 141.72 38.05 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.532 0.784 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.951 HG22 HG23 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -128.41 164.1 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.437 HD11 ' HA3' ' A' ' 109' ' ' GLY . 2.7 pp -132.57 140.43 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.586 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.92 153.58 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -173.34 126.94 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.487 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.6 mp -81.85 51.07 1.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 9.3 t-20 61.32 141.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.901 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.712 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' TRP . 41.2 t 36.52 58.69 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 12' ' ' ALA . 1.3 tt0 39.95 72.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.403 ' H ' ' HB2' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -76.04 -80.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -133.2 -79.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.441 HG22 ' HB3' ' A' ' 14' ' ' GLU . 6.2 mt -85.27 13.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 8' ' ' GLN . . . -43.93 -35.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -58.22 8.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.978 ' O ' HD11 ' A' ' 79' ' ' ILE . 6.7 tt0 -60.65 -27.69 68.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.902 ' O ' HG22 ' A' ' 18' ' ' THR . 8.9 mp -68.79 -56.22 8.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -35.37 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.08 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -69.67 -27.15 64.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.902 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.6 t -78.06 177.24 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 2.6 ptt-85 85.29 120.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.6 tp60 -125.16 69.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 59.93 28.89 18.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.647 HG12 ' N ' ' A' ' 23' ' ' SER . 97.9 t -104.71 -108.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 0.0 109.19 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.647 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -52.95 -66.69 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.048 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 27' ' ' ARG . . . 39.24 56.5 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.708 HD12 ' CB ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -68.98 -32.7 55.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.712 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 12.9 pt-20 -66.02 -41.98 90.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.443 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -65.35 -58.9 4.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.668 ' HE2' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -57.07 -42.4 80.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.961 HD13 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.961 ' N ' HD13 ' A' ' 40' ' ' LEU . 25.2 t0 -79.52 -53.86 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -49.9 -39.18 38.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -80.72 -42.24 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.499 ' CE ' ' HE3' ' A' ' 92' ' ' LYS . 10.3 mmtm -49.45 -29.66 6.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.211 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.9 t -54.66 -22.29 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.958 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 46' ' ' LEU . 6.2 mt -83.51 5.97 22.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -47.59 -40.59 19.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 79.5 -176.7 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.61 1.194 . . . . 0.0 109.976 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.3 Cg_endo -74.95 125.24 9.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.549 HG22 ' CD ' ' A' ' 74' ' ' GLU . 40.2 t -133.49 162.06 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -156.4 134.76 11.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.525 ' HB ' ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -152.84 148.65 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.439 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -101.61 148.45 25.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.837 ' HB2' HD11 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -107.0 139.67 41.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.276 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HG2' HD21 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -120.33 -174.15 2.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -52.47 128.26 25.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.744 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -51.01 -24.78 8.95 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.469 ' H ' HG23 ' A' ' 102' ' ' VAL . 1.5 t70 -62.54 -30.09 71.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 0.71 . . . . 0.0 109.212 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -105.4 7.45 33.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.489 HD22 ' HD3' ' A' ' 100' ' ' ARG . 9.7 tp -49.21 -40.46 33.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.749 ' HA ' HD12 ' A' ' 64' ' ' ILE . 8.8 p-10 -58.08 -49.53 76.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.44 -40.17 64.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.49 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -56.94 -27.45 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 61' ' ' ASP . 10.3 mt -63.78 -49.91 80.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.545 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -63.11 -33.15 74.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.5 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -74.94 -34.75 62.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.525 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 25.6 mt -65.16 -50.28 66.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.624 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -47.01 -45.38 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.6 mt-10 -59.05 -23.26 61.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 mm-40 -92.62 -40.34 10.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' GLU . 13.2 m -89.84 -65.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.3 t30 -39.75 -33.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -52.01 -50.27 61.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.18 . . . . 0.0 109.329 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.549 ' CD ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -108.69 14.69 24.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.247 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.08 -168.91 12.73 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.485 HG23 HG23 ' A' ' 78' ' ' VAL . 10.5 tp -92.33 157.67 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.24 99.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.604 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 80' ' ' HIS . 3.1 t -134.67 136.02 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.978 HD11 ' O ' ' A' ' 14' ' ' GLU . 1.4 pt -109.24 46.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.651 ' HB2' HD11 ' A' ' 85' ' ' LEU . 63.6 m170 -86.96 163.84 16.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.626 ' O ' HD13 ' A' ' 85' ' ' LEU . 86.2 m-20 -105.06 166.6 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.4 t -64.9 -29.63 70.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.8 mt -74.48 -38.64 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.654 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -74.49 -35.15 63.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.428 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.82 ' O ' HD12 ' A' ' 89' ' ' ILE . 4.6 mp -59.46 -41.05 88.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.409 ' HA ' HG23 ' A' ' 97' ' ' ILE . . . -61.15 -46.72 89.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.524 ' CE1' ' NH2' ' A' ' 90' ' ' ARG . 1.3 t80 -71.57 -49.46 40.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.708 ' CB ' HD12 ' A' ' 25' ' ' ILE . 6.2 mp -56.32 -51.23 69.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.82 HD12 ' O ' ' A' ' 85' ' ' LEU . 8.0 mt -61.05 -51.81 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.524 ' NH2' ' CE1' ' A' ' 87' ' ' PHE . 1.3 mtm180 -38.88 -34.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -71.88 -46.46 57.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.633 ' HB3' HD21 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -89.85 0.78 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.729 ' HB1' ' HG3' ' A' ' 96' ' ' ARG . . . -176.06 84.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -6.14 24.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -96.09 -77.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.576 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.729 ' HG3' ' HB1' ' A' ' 93' ' ' ALA . 1.0 OUTLIER -67.85 106.31 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.493 ' CD1' ' HG2' ' A' ' 90' ' ' ARG . 5.8 mt -132.82 159.85 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 p -111.65 125.02 68.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -101.36 -173.29 2.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.584 1.178 . . . . 0.0 109.615 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.489 ' HD3' HD22 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -166.63 130.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.3 p -117.24 149.93 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.777 HG13 ' O ' ' A' ' 102' ' ' VAL . 9.0 p -116.74 80.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.23 -38.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 t -135.22 176.99 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.423 ' OD1' HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -87.33 136.92 32.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -133.86 168.93 17.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.517 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 20.0 mt-10 -152.51 141.82 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.837 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -145.63 142.5 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.211 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.4 ' O ' HG13 ' A' ' 117' ' ' ILE . . . -162.59 175.6 38.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.73 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -153.22 164.65 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.263 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.449 ' N ' HG13 ' A' ' 110' ' ' VAL . 37.8 p -113.12 -26.65 8.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.524 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.63 -49.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.332 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER 153.92 -21.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.6 -70.15 1.31 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.4 OUTLIER -86.89 135.89 33.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.311 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.73 HG22 HG23 ' A' ' 110' ' ' VAL . 2.2 pp -115.51 163.56 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.6 pp -131.6 139.63 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.517 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -138.04 154.5 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -164.63 170.9 15.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -110.84 12.33 22.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 120' ' ' LEU . 9.8 t-20 60.94 142.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.954 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.655 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.96 -58.0 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -157.66 64.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 0.0 110.265 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.664 ' HG2' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -84.12 -83.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -153.84 -77.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.485 ' C ' HD13 ' A' ' 15' ' ' LEU . 11.5 mt -77.15 0.97 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.29 -33.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.31 -56.6 19.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.624 ' O ' HD11 ' A' ' 79' ' ' ILE . 3.9 tt0 -60.61 -25.28 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.485 HD13 ' C ' ' A' ' 11' ' ' ILE . 9.0 mp -73.69 -50.15 22.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -56.75 -34.98 68.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -67.33 -33.95 76.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.385 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -84.92 153.8 22.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.681 ' CA ' ' HB2' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -175.91 -41.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.873 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.3 tp60 38.07 31.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.2 m-20 45.46 25.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.068 . . . . 0.0 109.251 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 20' ' ' GLN . 53.9 t -104.65 -102.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.704 ' N ' HG12 ' A' ' 22' ' ' VAL . 11.0 m -79.6 16.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.681 ' HB2' ' CA ' ' A' ' 19' ' ' ARG . . . -66.71 61.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.752 HD11 HD22 ' A' ' 40' ' ' LEU . 82.2 mt -67.21 -20.51 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.655 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 42.0 mt-10 -65.37 -59.0 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.398 1.061 . . . . 0.0 110.221 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -47.93 73.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -55.18 -53.96 49.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -76.08 -53.5 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.387 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -48.03 -38.31 16.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.491 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -79.9 -39.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -26.27 25.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -78.47 -5.65 53.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 43' ' ' VAL . 13.1 mt -44.89 -38.57 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 48' ' ' SER . 14.9 mtpt -136.97 -95.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER 155.82 -57.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 48' ' ' SER . 18.4 Cg_endo -74.96 127.65 10.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.461 HG13 ' OE2' ' A' ' 74' ' ' GLU . 28.3 t -150.12 136.68 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -147.96 142.94 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.779 HG22 HD22 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -151.24 147.18 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.668 ' O ' HD21 ' A' ' 67' ' ' LEU . 7.3 tt -96.49 147.15 24.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.692 ' HB2' HD11 ' A' ' 108' ' ' ILE . 4.3 t -114.38 123.43 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.491 ' HG2' HD21 ' A' ' 53' ' ' LEU . 3.6 mtm180 -111.59 -173.06 2.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.459 ' CG ' ' HB ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -50.93 126.78 17.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.358 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.772 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -48.79 -29.72 8.29 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.582 1.176 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.04 -22.95 65.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -112.03 7.84 19.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.483 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 11.1 tp -51.58 -41.37 61.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.16 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.82 ' HA ' HD12 ' A' ' 64' ' ' ILE . 7.3 p-10 -56.89 -48.52 77.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.411 1.069 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.3 tt0 -73.95 -38.97 64.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.558 HD12 ' HG ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -59.74 -24.79 30.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 61' ' ' ASP . 10.4 mt -65.73 -48.63 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 1.027 ' HA ' HD23 ' A' ' 68' ' ' LEU . 12.7 pttt -66.43 -34.47 78.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.64 -37.07 65.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.779 HD22 HG22 ' A' ' 52' ' ' ILE . 14.9 mt -71.62 -43.27 66.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.027 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.69 -46.46 29.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.2 mm-40 -54.6 -24.02 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.8 mm-40 -93.66 -42.17 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.454 ' C ' ' N ' ' A' ' 73' ' ' LYS . 1.4 m -87.31 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 110.079 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -41.21 -28.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.59 -59.41 4.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.461 ' OE2' HG13 ' A' ' 50' ' ' VAL . 8.9 pm0 -80.64 3.12 23.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.4 -169.92 13.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.816 HG21 HG21 ' A' ' 22' ' ' VAL . 5.4 tp -93.59 165.12 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.22 99.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.412 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 2.0 t -134.72 143.97 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.624 HD11 ' O ' ' A' ' 14' ' ' GLU . 18.9 pt -117.81 53.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.455 ' CE1' ' CD2' ' A' ' 88' ' ' LEU . 53.2 m170 -87.33 167.62 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.528 ' O ' HD13 ' A' ' 85' ' ' LEU . 84.1 m-20 -107.04 174.64 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.28 -31.66 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.664 HD12 ' HG2' ' A' ' 9' ' ' LYS . 5.8 mt -74.3 -36.22 42.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.708 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -73.02 -35.07 66.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.419 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -59.66 -39.11 83.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.458 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -64.69 -43.71 92.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.12 -49.94 38.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.708 HD22 ' CG2' ' A' ' 84' ' ' THR . 3.5 mp -59.22 -48.97 79.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.58 HG23 ' NZ ' ' A' ' 92' ' ' LYS . 78.9 mt -63.16 -50.51 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.604 1.19 . . . . 0.0 109.379 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.493 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 4.8 mtm180 -38.33 -34.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -66.75 -44.24 82.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.58 ' NZ ' HG23 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -88.64 -15.77 34.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -154.27 74.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 90' ' ' ARG . 4.3 p -73.41 -2.62 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -89.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.643 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.474 ' HD3' ' CG1' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -93.32 108.49 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.554 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -118.21 171.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.601 1.188 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.554 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.1 p -98.01 152.08 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.15 -172.04 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.3 126.73 14.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.5 p -119.59 149.92 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.772 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.9 p -129.22 84.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.96 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.3 t -135.24 176.99 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -89.47 134.89 33.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -138.32 171.06 14.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 47.9 mt-10 -151.81 145.36 24.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.752 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -143.25 140.6 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.418 ' O ' ' CG1' ' A' ' 117' ' ' ILE . . . -160.75 148.79 17.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.168 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 1.061 HG23 HG23 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -132.68 163.52 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 0.724 . . . . 0.0 109.314 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.428 ' N ' HG13 ' A' ' 110' ' ' VAL . 31.9 p -112.29 -25.15 9.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.391 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -151.28 -49.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.47 ' OD2' ' HB1' ' A' ' 93' ' ' ALA . 0.7 OUTLIER 157.4 -23.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.236 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.79 -73.91 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.5 pm0 -78.4 136.11 37.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 1.061 HG23 HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -123.12 162.75 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 109' ' ' GLY . 5.3 pt -132.51 139.16 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -133.01 154.38 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.56 166.41 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.613 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -114.37 6.58 16.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.608 1.193 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 120' ' ' LEU . 8.9 t-20 61.03 142.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.019 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.71 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.2 t -93.81 -42.61 9.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.91 55.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.88 -79.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.97 -69.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.608 ' O ' HD13 ' A' ' 15' ' ' LEU . 23.9 mt -74.69 -1.93 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.14 -42.26 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 11.6 ptp180 -56.52 -53.72 54.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 18' ' ' THR . 5.1 tt0 -56.06 -35.08 66.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.998 HD23 HG21 ' A' ' 84' ' ' THR . 11.2 mp -61.4 -56.19 23.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -32.03 33.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 m -82.71 -27.42 31.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.6 ' CG2' ' HE2' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -84.54 -173.6 4.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.932 ' O ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER 77.72 13.05 1.84 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 19' ' ' ARG . 23.8 mm-40 33.61 40.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 t30 41.69 27.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.932 HG12 ' O ' ' A' ' 19' ' ' ARG . 13.1 p -96.91 -3.96 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -149.32 -78.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 34.7 67.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.672 HD12 ' HG ' ' A' ' 88' ' ' LEU . 4.9 mt -45.4 -25.4 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.71 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -65.41 -41.44 93.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ALA . 3.3 mtp180 -76.12 -49.75 16.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.31 -39.38 79.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.483 ' CD1' ' HB3' ' A' ' 91' ' ' GLU . 2.1 pt? . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -67.23 -58.26 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -52.23 -31.35 31.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -83.93 -25.09 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 45' ' ' SER . 2.7 pttt -64.17 -45.81 86.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 8.3 t -56.46 -20.07 18.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' A' ' 46' ' ' LEU . 9.0 mt -83.05 6.51 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD3' ' NH1' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -52.02 -50.79 60.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.551 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 49.79 -179.5 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.1 Cg_endo -75.0 131.29 14.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 51' ' ' ARG . 99.5 t -149.16 160.84 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.427 ' N ' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -155.43 139.68 16.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.76 HD13 ' OG ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -162.4 148.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.855 ' O ' HD11 ' A' ' 67' ' ' LEU . 2.5 tt -97.7 148.94 22.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.506 ' SG ' ' CD1' ' A' ' 60' ' ' LEU . 6.7 t -118.77 139.25 51.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.1 -173.97 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.318 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -52.85 143.03 17.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.778 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -50.91 -19.35 3.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -79.43 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -2.11 5.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.376 1.048 . . . . 0.0 110.405 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.599 ' O ' HD13 ' A' ' 64' ' ' ILE . 4.5 tp -48.41 -41.16 28.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -57.28 -50.06 74.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -41.57 67.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -57.66 -34.59 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.715 HD11 ' HB2' ' A' ' 82' ' ' SER . 0.5 OUTLIER -62.22 -38.47 81.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.767 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -64.98 -43.01 94.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -34.79 72.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.255 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.855 HD11 ' O ' ' A' ' 53' ' ' LEU . 52.2 mt -67.97 -44.08 77.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.767 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.48 -44.84 25.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.409 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.6 mm-40 -56.3 -24.09 41.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.7 mm-40 -93.12 -40.6 10.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.76 ' OG ' HD13 ' A' ' 52' ' ' ILE . 38.3 m -91.15 -64.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.597 ' N ' ' O ' ' A' ' 68' ' ' LEU . 4.9 t30 -40.13 -32.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.62 -50.97 68.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -92.87 6.7 46.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.17 -171.53 13.95 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 77' ' ' HIS . 7.5 tp -92.18 154.98 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -45.11 99.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.589 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.458 HG11 HH21 ' A' ' 19' ' ' ARG . 3.9 t -134.74 142.3 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.496 HG13 HG21 ' A' ' 18' ' ' THR . 3.3 pt -127.87 37.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.6 ' HE2' ' CG2' ' A' ' 18' ' ' THR . 11.7 m170 -87.45 164.28 16.26 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 109.567 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.569 ' HA ' ' CG1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -101.38 167.79 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.715 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -63.42 -29.75 70.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.536 HG13 HD21 ' A' ' 60' ' ' LEU . 2.3 mt -65.09 -40.6 89.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.998 HG21 HD23 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -78.75 -32.39 46.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -57.64 -36.72 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.434 ' HA ' ' CG2' ' A' ' 97' ' ' ILE . . . -63.76 -45.16 91.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -72.03 -51.52 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.982 HD13 HG23 ' A' ' 84' ' ' THR . 6.6 mp -56.19 -50.44 71.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.657 ' O ' ' N ' ' A' ' 93' ' ' ALA . 67.9 mt -64.32 -50.46 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.503 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -38.63 -35.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.577 ' HB2' HG21 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -72.32 -44.98 61.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -89.06 0.73 56.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.732 ' HB1' ' HG3' ' A' ' 96' ' ' ARG . . . -176.62 84.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.532 ' O ' HD11 ' A' ' 97' ' ' ILE . 10.3 p -69.02 -6.33 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.09 -75.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.645 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.732 ' HG3' ' HB1' ' A' ' 93' ' ' ALA . 0.3 OUTLIER -70.38 104.64 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.532 HD11 ' O ' ' A' ' 94' ' ' SER . 1.8 mt -133.09 159.49 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.729 HG23 HG12 ' A' ' 108' ' ' ILE . 2.2 p -108.48 128.91 63.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -172.14 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.486 ' HG3' HD13 ' A' ' 60' ' ' LEU . 6.9 tmm_? -169.14 114.85 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.58 149.0 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.778 HG13 ' N ' ' A' ' 57' ' ' GLY . 1.5 t -112.84 67.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.418 ' N ' ' HG2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -165.83 -42.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.2 p -129.7 176.25 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.487 ' O ' HD23 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -98.31 147.01 25.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.548 ' CD1' ' HG ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -151.81 134.33 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 118' ' ' VAL . 54.3 mt-10 -105.68 148.98 26.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.737 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -141.95 146.36 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.495 ' C ' ' CG1' ' A' ' 117' ' ' ILE . . . -167.71 170.55 41.84 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.437 1.086 . . . . 0.0 110.982 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -146.08 168.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.497 ' N ' HG13 ' A' ' 110' ' ' VAL . 18.3 p -114.09 -27.94 7.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.408 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.99 -48.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.2 OUTLIER 154.17 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.41 -70.99 1.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.635 ' O ' HG22 ' A' ' 110' ' ' VAL . 5.7 mm-40 -78.55 161.35 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.7 157.67 43.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.495 ' CG1' ' C ' ' A' ' 109' ' ' GLY . 6.9 pt -132.4 140.3 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 107' ' ' GLU . 14.9 p -145.44 154.29 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -173.39 128.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.548 ' HG ' ' CD1' ' A' ' 106' ' ' PHE . 4.5 mp -81.55 50.82 1.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.3 t-20 61.43 140.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.693 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.97 -53.71 3.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.43 47.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HG2' ' CD1' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -65.59 -67.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -164.33 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mt -73.84 -0.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.01 -41.38 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 14.8 ptt180 -55.01 -54.63 40.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' N ' ' CG ' ' A' ' 13' ' ' ARG . 2.2 tt0 -59.34 -27.72 66.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.991 ' O ' HG22 ' A' ' 18' ' ' THR . 0.5 OUTLIER -72.0 -52.09 18.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -52.48 -34.99 51.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.221 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 m -60.74 -27.23 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.991 HG22 ' O ' ' A' ' 15' ' ' LEU . 4.7 t -85.61 -149.42 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.784 ' N ' HG23 ' A' ' 18' ' ' THR . 13.2 ttp-105 85.04 36.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.02 62.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER 64.92 25.53 12.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.038 HG21 ' CG2' ' A' ' 78' ' ' VAL . 8.0 p -100.19 75.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 1.7 t 89.03 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.951 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 32.55 54.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.5 HD12 ' HG ' ' A' ' 88' ' ' LEU . 93.4 mt -71.27 -35.43 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.693 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 6.3 pt-20 -67.59 -47.05 70.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -54.19 44.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -56.89 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.385 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.844 HD13 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.844 ' N ' HD13 ' A' ' 40' ' ' LEU . 25.5 t0 -66.7 -56.93 8.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 3.0 t80 -51.85 -33.27 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.607 1.192 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -83.76 -21.97 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.433 1.083 . . . . 0.0 109.349 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.493 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -66.36 -44.13 84.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.493 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 34.2 t -45.1 -44.97 10.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 46' ' ' LEU . 1.7 mt -39.26 -41.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 42.06 38.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.8 m -62.74 145.73 95.36 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.477 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.1 Cg_endo -75.02 149.27 36.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.477 HG23 ' C ' ' A' ' 49' ' ' PRO . 62.7 t -155.11 161.27 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.42 ' N ' HG12 ' A' ' 50' ' ' VAL . 1.3 ttt180 -158.61 139.5 12.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.42 1.075 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.485 ' CG2' ' HB2' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -156.74 146.81 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.681 HD21 ' HG2' ' A' ' 55' ' ' ARG . 7.4 tt -93.81 148.98 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.641 ' HB2' HD11 ' A' ' 108' ' ' ILE . 27.4 t -118.91 126.29 51.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 108.354 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.681 ' HG2' HD21 ' A' ' 53' ' ' LEU . 7.2 mtm180 -115.63 -171.94 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -49.98 127.29 16.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.816 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -46.41 -26.68 2.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.13 -33.73 76.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.754 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.957 HG23 HD13 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -99.4 8.19 44.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 64' ' ' ILE . 8.0 tp -55.35 -45.22 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -52.12 -49.12 64.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -36.37 67.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.957 HD13 HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -61.16 -27.5 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -62.6 -50.13 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -63.07 -34.24 77.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.56 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.1 mtp180 -73.47 -33.49 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -61.36 -50.37 73.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -46.37 -50.46 16.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 7.1 mm-40 -51.58 -24.63 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.485 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 2.7 mm-40 -94.41 -41.42 9.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.592 1.183 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 74' ' ' GLU . 20.1 m -86.47 -66.34 0.92 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.029 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 t30 -40.46 -29.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -62.49 -51.16 68.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.0 pp20? -95.53 3.31 54.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.01 -172.63 13.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.427 ' HA ' HD12 ' A' ' 76' ' ' ILE . 8.3 tp -92.7 162.46 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.428 0.722 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.19 100.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.038 ' CG2' HG21 ' A' ' 22' ' ' VAL . 2.9 t -134.25 137.41 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.586 HD11 ' HB ' ' A' ' 18' ' ' THR . 46.1 pt -114.72 49.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.441 ' HA ' HD11 ' A' ' 15' ' ' LEU . 54.6 m170 -87.14 167.96 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.574 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.883 ' O ' HD13 ' A' ' 85' ' ' LEU . 3.5 m-20 -111.87 172.51 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.3 t -68.6 -30.81 69.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.548 HD13 HH21 ' A' ' 100' ' ' ARG . 13.7 mt -74.1 -35.03 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.632 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -76.57 -33.59 58.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.473 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.883 HD13 ' O ' ' A' ' 81' ' ' ASP . 5.8 mp -58.82 -41.89 87.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.416 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -63.9 -41.63 97.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -72.31 -49.75 32.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.632 HD22 ' CG2' ' A' ' 84' ' ' THR . 5.5 mp -61.53 -40.15 93.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.586 ' O ' ' N ' ' A' ' 93' ' ' ALA . 75.8 mt -69.65 -51.61 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.419 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -38.76 -34.71 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.453 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 2.5 mm-40 -70.59 -46.23 63.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.593 ' HB3' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.31 1.95 55.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.586 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -170.52 79.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.4 p -79.58 3.42 18.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.443 1.089 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -87.15 -88.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.551 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -100.71 111.83 24.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.7 OUTLIER -115.54 171.84 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.5 p -97.05 148.39 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.62 -168.96 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.563 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.548 HH21 HD13 ' A' ' 83' ' ' ILE . 4.7 ppt_? -160.66 119.35 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.0 p -112.33 149.49 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.816 HG23 ' N ' ' A' ' 57' ' ' GLY . 9.4 p -116.17 85.71 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.96 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 t -135.54 176.88 8.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.7 ' O ' HD23 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -98.4 137.11 37.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.638 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.99 139.47 18.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.611 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 32.6 mt-10 -111.34 148.95 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.641 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -135.91 137.21 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.363 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.42 ' CA ' HG13 ' A' ' 117' ' ' ILE . . . -149.33 154.93 26.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 1.032 HG23 HG22 ' A' ' 116' ' ' ILE . 0.8 OUTLIER -143.56 156.75 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 p -115.13 -20.77 10.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 110.379 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -144.73 -53.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.253 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 5.3 m-20 155.55 -23.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.46 -70.56 1.33 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.462 ' O ' HG22 ' A' ' 110' ' ' VAL . 2.4 pm0 -79.2 136.98 37.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 1.032 HG22 HG23 ' A' ' 110' ' ' VAL . 2.2 pp -122.79 166.56 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.42 HG13 ' CA ' ' A' ' 109' ' ' GLY . 1.2 pt -132.75 140.3 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.611 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 17.9 m -122.43 153.45 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.3 110.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.7 HD23 ' O ' ' A' ' 105' ' ' ASP . 3.0 mp -84.12 50.21 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 120' ' ' LEU . 12.2 t-20 61.24 140.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.644 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.02 -87.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 6' ' ' TRP . 10.2 tt0 -158.48 54.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.713 ' HD2' HG21 ' A' ' 83' ' ' ILE . 3.4 mmtt -57.37 -65.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HE2' ' CB ' ' A' ' 61' ' ' ASP . 12.5 tttt -154.28 -84.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.438 HG22 ' HB3' ' A' ' 14' ' ' GLU . 10.8 mt -75.5 5.16 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 8' ' ' GLN . . . -39.31 -37.14 0.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.162 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -58.69 6.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.511 ' HG2' HD12 ' A' ' 79' ' ' ILE . 1.3 tt0 -59.24 -24.93 63.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.966 ' O ' HG22 ' A' ' 18' ' ' THR . 0.9 OUTLIER -69.17 -60.4 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' O ' ' NH1' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -51.26 -30.53 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 2.2 m -69.48 -29.54 67.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.966 HG22 ' O ' ' A' ' 15' ' ' LEU . 6.9 t -81.9 -144.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.77 ' N ' HG23 ' A' ' 18' ' ' THR . 0.0 OUTLIER 35.14 67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.22 60.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' ARG . 7.5 m-20 62.3 23.61 13.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 22' ' ' VAL . 73.6 t -100.19 3.92 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 24' ' ' ALA . 20.5 t -176.05 -73.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.984 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 37.77 60.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.498 HD12 ' CA ' ' A' ' 88' ' ' LEU . 11.0 mt -50.55 -25.65 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.644 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 10.6 pt-20 -71.84 -52.87 15.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 18.6 ttt180 -58.12 -50.67 72.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -57.68 11.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.808 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.808 ' N ' HD22 ' A' ' 40' ' ' LEU . 7.6 t70 -70.99 -55.68 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -51.42 -37.21 47.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -27.8 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.8 ' CE ' HH21 ' A' ' 96' ' ' ARG . 0.0 OUTLIER -63.58 -34.71 78.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' LEU . 37.5 t -53.11 -45.13 68.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.041 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 46' ' ' LEU . 1.5 mt -39.94 -58.08 1.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 mttt 66.79 60.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.97 144.56 30.25 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.438 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -74.99 144.65 30.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.438 HG23 ' C ' ' A' ' 49' ' ' PRO . 23.8 t -153.04 161.31 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.3 142.5 9.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.52 ' CG2' ' HB2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -154.05 148.6 13.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 109.247 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.573 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -97.81 145.2 26.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.77 ' HB2' HD11 ' A' ' 108' ' ' ILE . 3.9 t -103.33 139.06 39.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.573 ' HG2' HD21 ' A' ' 53' ' ' LEU . 1.2 mmm180 -119.98 -174.1 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 59' ' ' THR . 4.3 mtm180 -57.86 127.69 33.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.834 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -46.78 -26.64 2.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -63.63 -35.04 79.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.754 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -99.7 9.15 43.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.532 HD12 HG21 ' A' ' 63' ' ' ILE . 11.6 tp -51.35 -43.76 61.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' CB ' ' HE2' ' A' ' 10' ' ' LYS . 7.8 p-10 -52.67 -49.91 64.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -35.66 68.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.211 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.565 HG22 HD13 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -61.6 -25.92 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.615 HG23 ' O ' ' A' ' 80' ' ' HIS . 1.6 mm -63.01 -48.19 89.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.726 ' HA ' HD21 ' A' ' 68' ' ' LEU . 1.5 tttp -65.03 -34.53 78.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.473 ' HB2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -74.66 -32.85 62.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.516 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 13.5 mt -64.64 -54.15 36.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.726 HD21 ' HA ' ' A' ' 65' ' ' LYS . 3.3 pp -54.62 -39.64 68.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.683 ' HG2' HD12 ' A' ' 68' ' ' LEU . 4.6 mm-40 -60.81 -24.03 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.52 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 1.6 mm-40 -95.22 -35.39 11.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.252 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -91.45 -63.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.9 t-20 -43.36 -32.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -53.98 -38.44 65.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.0 OUTLIER -119.53 13.83 12.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.257 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.66 -167.75 12.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 77' ' ' HIS . 7.2 tp -90.59 154.29 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 0.734 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.425 ' N ' HG13 ' A' ' 76' ' ' ILE . 7.3 t-160 -48.42 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.4 1.063 . . . . 0.0 109.565 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.3 t -136.34 140.24 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.511 HD12 ' HG2' ' A' ' 14' ' ' GLU . 35.1 pt -127.57 49.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.615 ' O ' HG23 ' A' ' 64' ' ' ILE . 50.9 m170 -90.0 165.8 13.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.901 ' OD1' HD11 ' A' ' 15' ' ' LEU . 1.3 m-20 -105.22 164.67 11.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.433 ' CB ' ' HD3' ' A' ' 100' ' ' ARG . 1.1 t -55.05 -35.3 64.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.998 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.713 HG21 ' HD2' ' A' ' 9' ' ' LYS . 2.4 mt -63.59 -42.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.744 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -75.9 -35.11 59.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.459 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 1.3 mp -58.29 -41.65 84.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 90' ' ' ARG . . . -62.83 -44.76 95.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.49 -50.99 26.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.744 HD13 HG23 ' A' ' 84' ' ' THR . 6.1 mp -57.92 -50.22 74.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 93' ' ' ALA . 86.6 mt -61.93 -52.9 55.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.484 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 3.2 mtt180 -39.77 -35.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -45.99 61.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.619 ' CB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.19 0.62 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.759 ' HB1' ' HG3' ' A' ' 96' ' ' ARG . . . -176.15 83.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.429 ' O ' HD11 ' A' ' 97' ' ' ILE . 89.9 p -69.22 -6.05 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -95.96 -75.49 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.559 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.8 HH21 ' CE ' ' A' ' 44' ' ' LYS . 4.8 ppt_? -70.83 104.38 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.54 HG22 ' H ' ' A' ' 98' ' ' VAL . 4.7 mt -128.99 170.96 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.54 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.5 p -117.44 135.49 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.619 ' HA ' HH21 ' A' ' 100' ' ' ARG . 57.8 t-80 -97.01 169.78 9.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.559 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.619 HH21 ' HA ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -143.99 115.47 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.8 p -116.01 149.33 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.834 HG23 ' N ' ' A' ' 57' ' ' GLY . 9.9 p -124.7 81.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.355 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -177.29 -38.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.3 m -134.89 176.6 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.03 136.79 32.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.82 170.54 15.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 46.4 mt-10 -154.78 140.22 17.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.785 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -145.45 142.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.44 ' O ' ' CG1' ' A' ' 117' ' ' ILE . . . -166.82 162.77 36.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -133.01 168.87 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.261 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.508 ' N ' HG13 ' A' ' 110' ' ' VAL . 73.1 p -114.81 -28.53 7.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.36 -49.27 0.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER 155.4 -21.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.11 -68.18 1.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.687 ' O ' HG22 ' A' ' 110' ' ' VAL . 18.9 mm-40 -81.09 150.17 28.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 0.726 . . . . 0.0 110.332 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.684 HG22 HG23 ' A' ' 110' ' ' VAL . 2.0 pp -128.26 159.85 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 109' ' ' GLY . 5.9 pt -131.52 139.96 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 14.3 p -140.18 157.22 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -169.1 168.08 10.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.738 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -106.57 14.37 27.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.5 t-20 61.12 141.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.1 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.722 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -35.1 79.46 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.576 1.172 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 170.86 72.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.92 -77.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -138.47 -85.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 mt -77.4 3.07 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.27 -35.06 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -57.53 11.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.757 ' O ' HD11 ' A' ' 79' ' ' ILE . 1.4 mt-10 -59.65 -30.73 68.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 80' ' ' HIS . 1.1 tt -65.83 -52.29 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -55.37 -37.41 67.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -27.6 68.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.436 ' HB ' ' CG1' ' A' ' 79' ' ' ILE . 0.5 OUTLIER -87.78 128.42 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.538 ' CG ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 176.17 40.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.225 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -69.47 59.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.02 27.34 12.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.802 HG13 ' N ' ' A' ' 23' ' ' SER . 2.7 p -90.44 -146.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.802 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -49.87 -63.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.019 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.538 ' HB2' ' CG ' ' A' ' 19' ' ' ARG . . . 45.09 53.28 7.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 88' ' ' LEU . 62.9 mt -76.59 -30.47 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.722 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -66.03 -42.19 89.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -74.26 -50.44 18.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -56.24 -44.43 79.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 109.371 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.828 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.828 ' N ' HD22 ' A' ' 40' ' ' LEU . 21.0 t70 -69.9 -56.44 7.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -49.28 -38.75 28.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -78.3 -30.5 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -60.01 -35.18 74.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' LEU . 48.3 t -50.88 -46.28 60.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.075 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 43' ' ' VAL . 1.6 mt -39.2 -51.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.4 mttt 68.6 63.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.9 p -96.45 139.56 21.75 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.435 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.4 Cg_endo -75.0 151.58 39.68 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.435 HG23 ' C ' ' A' ' 49' ' ' PRO . 44.5 t -152.91 161.38 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -160.16 142.43 13.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.663 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -161.49 147.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.593 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -99.42 148.03 24.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.431 ' HB2' HD11 ' A' ' 108' ' ' ILE . 23.5 t -108.01 129.4 55.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.593 ' HG2' HD21 ' A' ' 53' ' ' LEU . 8.9 mmt180 -116.19 -174.75 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.223 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.86 126.59 20.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.802 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -47.25 -28.22 4.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -61.3 -31.66 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.417 0.716 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -103.53 7.97 37.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.483 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 7.4 tp -49.64 -40.91 41.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.827 ' HA ' HD12 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -57.09 -49.38 76.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -38.59 67.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.236 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.646 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -57.39 -29.61 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.233 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 61' ' ' ASP . 9.2 mt -61.9 -46.6 96.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.655 ' HA ' HD23 ' A' ' 68' ' ' LEU . 6.9 tttt -63.75 -39.23 93.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.409 ' HB2' HD13 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -70.44 -34.57 72.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.663 HD13 ' HB ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -65.27 -51.88 57.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.655 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -49.12 -44.47 42.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.28 -24.76 45.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.497 ' HB2' HG23 ' A' ' 52' ' ' ILE . 4.1 mm-40 -93.64 -41.04 9.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 74' ' ' GLU . 14.3 m -85.73 -65.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.5 t30 -42.24 -29.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -63.75 -48.65 76.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.9 pt-20 -97.05 6.84 47.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.51 -171.46 13.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.555 1.159 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 78' ' ' VAL . 6.7 mm -91.61 161.46 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -47.24 98.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.597 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 76' ' ' ILE . 83.2 t -135.8 141.99 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.757 HD11 ' O ' ' A' ' 14' ' ' GLU . 21.8 pt -122.12 51.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.534 ' ND1' ' CD2' ' A' ' 88' ' ' LEU . 65.0 m170 -88.26 167.24 13.74 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.551 1.157 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.553 ' HA ' HG23 ' A' ' 64' ' ' ILE . 6.7 m-20 -112.99 175.63 5.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.227 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -68.87 -32.27 71.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 110.064 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.513 HG23 ' NH1' ' A' ' 100' ' ' ARG . 14.9 mt -70.18 -35.59 63.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.658 HG23 HD13 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -77.42 -36.67 52.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.514 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.67 -35.73 75.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.25 -50.29 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.34 -48.41 42.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.849 ' HA ' HD12 ' A' ' 25' ' ' ILE . 7.4 mp -56.29 -38.86 71.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 93' ' ' ALA . 68.4 mt -74.18 -50.84 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.81 -36.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -43.48 32.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.242 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.631 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -83.11 -3.25 57.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.648 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -177.45 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.09 0.99 16.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.09 -77.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.544 ' HB3' HG21 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -101.29 108.51 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.52 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -117.47 171.49 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.59 HG23 HG12 ' A' ' 108' ' ' ILE . 5.2 p -100.07 148.29 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.591 ' NE2' ' CE2' ' A' ' 106' ' ' PHE . 46.8 p-80 -111.76 -172.88 2.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.677 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.514 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 7.9 ptp180 -144.25 117.09 8.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.381 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.51 143.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.802 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.4 p -128.85 81.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.75 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.1 m -134.38 176.52 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.96 141.41 28.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.591 ' CE2' ' NE2' ' A' ' 99' ' ' HIS . 0.2 OUTLIER -144.92 166.46 25.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.645 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 0.7 OUTLIER -149.49 146.61 27.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.867 HG23 HG12 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -146.9 145.06 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.365 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.24 169.42 38.34 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -154.0 170.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.5 ' N ' HG13 ' A' ' 110' ' ' VAL . 3.3 p -115.89 -26.38 7.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.42 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -153.79 -45.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 160.77 -24.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.57 -75.08 1.0 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.673 ' O ' HG22 ' A' ' 110' ' ' VAL . 3.5 pm0 -79.54 136.61 36.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 0.717 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.647 HG22 HG23 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -132.75 166.21 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.577 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.9 pp -130.98 139.68 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.867 HG12 HG23 ' A' ' 108' ' ' ILE . 4.3 m -149.27 157.22 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 106' ' ' PHE . 5.5 t0 -170.4 170.66 6.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -107.16 11.56 29.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 120' ' ' LEU . 5.4 t30 61.49 142.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.492 0.187 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -169.05 -68.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -115.43 162.05 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.607 ' C ' ' CZ ' ' A' ' 87' ' ' PHE . 0.9 OUTLIER -128.67 31.72 4.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.362 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.572 ' HA3' ' CD1' ' A' ' 87' ' ' PHE . . . 82.15 -63.36 4.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.619 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -101.44 59.77 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 8' ' ' GLN . 99.9 p -97.7 45.41 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.406 ' CB ' ' O ' ' A' ' 7' ' ' SER . 2.6 tm0? 79.11 63.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.222 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -75.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -139.09 -92.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.432 ' C ' HD13 ' A' ' 15' ' ' LEU . 15.6 mt -71.29 -2.07 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.23 -37.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' CG ' ' H ' ' A' ' 14' ' ' GLU . 20.9 ptt85 -54.4 -55.47 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.818 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.7 OUTLIER -61.38 -28.33 69.16 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.44 1.088 . . . . 0.0 110.255 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.671 HD21 ' H ' ' A' ' 81' ' ' ASP . 7.8 mp -68.5 -57.98 5.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -51.92 -31.47 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.456 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 23.7 m -71.85 -27.43 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -87.35 122.55 31.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.479 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 2.4 ptt180 178.43 52.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 110.227 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.431 ' C ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.23 65.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.225 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 52.92 21.23 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 23' ' ' SER . 2.1 t -91.04 -139.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.482 ' H ' HG12 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -49.83 -60.49 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 37.84 56.27 1.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.823 HD12 ' HG ' ' A' ' 88' ' ' LEU . 36.5 mt -67.95 -26.73 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.619 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 10.1 mt-10 -69.59 -52.09 29.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -47.34 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 6.9 mmtt -59.42 -58.3 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -45.02 -57.35 3.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -20.89 63.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' LYS . 2.5 mt-10 -79.55 46.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 45.41 34.09 1.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -51.57 154.0 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -163.32 -65.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.67 77.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' ARG . 14.6 m -147.67 -69.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.383 1.052 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -36.26 -64.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER 81.52 38.5 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.3 m -74.85 -78.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' A' ' 92' ' ' LYS . 1.4 pt? -50.27 -24.59 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.8 -55.89 8.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.363 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -54.34 -35.86 63.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.98 -23.04 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.468 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -65.73 -42.57 90.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -46.66 -44.98 18.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 mt -41.15 -57.06 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.94 44.48 30.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -78.02 149.65 76.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.045 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.432 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -74.97 149.46 36.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.432 HG23 ' C ' ' A' ' 49' ' ' PRO . 46.4 t -152.31 161.59 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.424 ' N ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -159.46 135.07 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.517 HD12 HD13 ' A' ' 67' ' ' LEU . 3.0 pt -152.16 147.81 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.448 HD12 ' CG ' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -100.97 148.4 25.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.182 . . . . 0.0 109.323 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.801 ' HB2' HD11 ' A' ' 108' ' ' ILE . 2.0 t -112.79 140.82 47.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.192 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -125.04 -172.92 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -51.24 126.05 15.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.817 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -47.99 -31.56 8.22 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.581 1.176 . . . . 0.0 111.037 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.0 -18.68 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.969 HG23 HD13 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -115.72 6.09 14.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.417 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.45 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 9.5 tp -49.73 -41.3 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.806 ' HA ' HD12 ' A' ' 64' ' ' ILE . 7.8 p-10 -56.88 -50.8 71.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -35.9 66.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.969 HD13 HG23 ' A' ' 59' ' ' THR . 0.6 OUTLIER -60.22 -29.91 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.806 HD12 ' HA ' ' A' ' 61' ' ' ASP . 8.5 mt -60.83 -43.44 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -67.6 -38.4 83.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -34.71 71.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.517 HD13 HD12 ' A' ' 52' ' ' ILE . 3.9 mt -64.99 -52.39 56.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -49.51 -45.32 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' O ' ' CD ' ' A' ' 73' ' ' LYS . 2.6 mm-40 -56.33 -24.66 45.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.514 ' HB2' HG22 ' A' ' 52' ' ' ILE . 3.3 mm-40 -93.42 -41.0 10.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 74' ' ' GLU . 65.3 m -86.39 -66.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.063 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 t30 -42.2 -28.32 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -61.69 -48.26 81.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.4 pt-20 -106.08 12.44 30.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.69 -168.72 12.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.407 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 7.3 tp -91.61 149.47 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -48.94 99.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 109.605 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.25 142.47 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.818 HD11 ' O ' ' A' ' 14' ' ' GLU . 2.7 pt -117.56 49.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.441 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 12.8 m-70 -86.88 166.37 15.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.651 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.671 ' H ' HD21 ' A' ' 15' ' ' LEU . 65.2 m-20 -107.78 162.84 13.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.1 t -60.28 -30.89 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 36.8 mt -73.26 -34.56 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.803 HG23 HD13 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -79.32 -32.38 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.368 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 81' ' ' ASP . 4.9 mp -60.06 -41.45 92.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.503 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -62.1 -44.56 96.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.607 ' CZ ' ' C ' ' A' ' 4' ' ' ARG . 1.8 t80 -71.35 -50.55 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.823 ' HG ' HD12 ' A' ' 25' ' ' ILE . 7.6 mp -59.46 -40.34 86.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.606 ' O ' ' N ' ' A' ' 93' ' ' ALA . 66.3 mt -68.15 -52.02 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 6.9 mtt180 -39.17 -35.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -45.78 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.623 ' HB3' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -89.16 0.37 56.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.606 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -171.92 80.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.1 p -79.8 3.31 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.968 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -87.56 -84.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.615 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.461 ' CD ' ' O ' ' A' ' 114' ' ' GLY . 4.3 mtp180 -102.69 110.46 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.404 1.065 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.541 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -114.87 171.57 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.541 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.6 p -97.65 145.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -116.42 -177.77 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.612 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -144.17 129.63 18.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.28 149.91 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.817 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.7 p -129.25 81.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -178.09 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.37 177.13 8.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.2 138.7 31.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.559 ' CZ ' ' CG2' ' A' ' 118' ' ' VAL . 0.9 OUTLIER -137.61 165.86 25.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.568 1.167 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.543 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 4.2 mt-10 -148.14 140.91 24.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.215 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.801 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -136.88 144.8 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.37 159.02 29.14 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.867 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -152.74 164.5 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.466 ' N ' HG13 ' A' ' 110' ' ' VAL . 70.2 p -115.7 -25.83 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.501 1.125 . . . . 0.0 110.441 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.43 -50.37 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 1.9 m-20 158.76 -24.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.461 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -76.02 -73.08 1.02 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.512 ' O ' HG22 ' A' ' 110' ' ' VAL . 9.3 mm-40 -83.08 133.75 35.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.993 HD12 ' N ' ' A' ' 117' ' ' ILE . 0.5 OUTLIER -128.45 168.85 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.993 ' N ' HD12 ' A' ' 116' ' ' ILE . 2.8 pp -131.37 140.26 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.559 ' CG2' ' CZ ' ' A' ' 106' ' ' PHE . 14.3 p -131.34 154.57 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -166.46 171.7 11.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.668 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -109.13 20.46 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 120' ' ' LEU . 5.2 t30 61.28 139.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.507 0.194 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -39.01 -59.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.96 130.61 44.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.549 ' O ' ' CZ ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -43.08 162.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.57 ' HA3' ' CZ ' ' A' ' 87' ' ' PHE . . . 100.86 104.82 2.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.666 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 43.7 42.37 4.22 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.9 t -69.31 -75.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.84 53.78 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.507 ' HD2' HD13 ' A' ' 83' ' ' ILE . 4.7 mmtm -68.84 -75.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.45 -84.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.522 HG22 ' CD1' ' A' ' 15' ' ' LEU . 11.8 mt -72.46 -4.58 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.34 -27.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -65.54 -56.57 11.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.481 ' O ' HD11 ' A' ' 79' ' ' ILE . 1.8 tp10 -62.32 -22.86 66.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.269 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.522 ' CD1' HG22 ' A' ' 11' ' ' ILE . 9.8 mp -77.39 -59.07 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -50.5 -30.58 13.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 m -77.49 -27.49 51.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -86.9 125.66 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.897 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 0.9 OUTLIER 175.41 61.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.245 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -71.57 58.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.1 m120 47.47 27.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.569 HG21 HD12 ' A' ' 76' ' ' ILE . 8.3 p -106.59 5.54 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.41 -79.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.051 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.897 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 44.29 58.11 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.546 HD12 ' HG ' ' A' ' 88' ' ' LEU . 21.6 mt -72.05 -32.45 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.666 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 1.9 pp20? -67.72 -48.79 65.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' HG3' ' NH2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -63.15 -53.9 46.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 11.8 mmtt -57.84 -57.1 14.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -43.14 -63.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -20.87 45.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' LYS . 2.1 mm-40 -80.89 46.7 0.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.437 1.085 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 45.38 35.3 1.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -51.62 154.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -156.9 -60.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.235 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.47 75.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.433 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -142.4 -56.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.545 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 3.2 tpt180 -56.68 -38.84 72.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 37' ' ' ARG . 4.0 p30 41.66 47.13 3.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 41' ' ' ASP . 51.3 m -75.9 -84.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.836 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -46.46 -25.49 0.68 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.836 ' N ' HD22 ' A' ' 40' ' ' LEU . 11.8 t0 -70.85 -55.85 7.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -50.55 -39.08 48.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -78.75 -27.79 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.627 1.204 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -36.76 78.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 46' ' ' LEU . 38.8 t -48.38 -46.25 36.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.399 1.062 . . . . 0.0 109.962 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 43' ' ' VAL . 1.5 mt -39.3 -55.33 1.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.6 mttm 67.6 62.85 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -99.06 142.0 23.86 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.77 35.7 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.4 t -145.01 148.52 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.11 133.15 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.244 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.883 HG22 HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -156.91 147.95 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -98.53 148.92 23.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.489 ' CB ' HD11 ' A' ' 108' ' ' ILE . 17.8 t -111.7 132.86 54.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.545 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -119.82 -173.12 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HD3' HG12 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -51.21 134.37 27.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.811 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -57.88 -19.1 35.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 111.065 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.4 -7.74 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -127.32 6.55 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.673 HD12 HG21 ' A' ' 63' ' ' ILE . 7.7 tp -55.26 -44.44 75.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' A' ' 62' ' ' GLU . 7.6 p-10 -50.91 -49.15 60.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -73.81 -36.35 64.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.673 HG21 HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -63.33 -23.3 32.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.533 HD13 HG22 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -65.77 -48.23 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.975 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -66.18 -35.16 79.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.538 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -73.72 -37.07 65.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.25 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.883 HD22 HG22 ' A' ' 52' ' ' ILE . 2.8 mt -72.33 -42.0 65.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.975 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.01 -43.02 19.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -55.33 -25.09 32.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . 4.1 mm-40 -94.11 -40.58 9.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.324 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 72' ' ' ASN . 2.0 m -86.14 -67.13 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -39.09 -33.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.43 -59.64 5.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.01 7.28 18.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.3 -177.75 15.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.693 HD13 ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -96.36 158.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.244 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.693 ' N ' HD13 ' A' ' 76' ' ' ILE . 13.7 t-160 -40.45 99.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.607 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 80' ' ' HIS . 2.3 t -134.59 139.51 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.481 HD11 ' O ' ' A' ' 14' ' ' GLU . 9.9 pt -116.12 41.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 32.4 m170 -89.55 166.42 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.612 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.497 ' N ' HD21 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -119.98 167.69 11.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.2 t -55.03 -37.55 66.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.507 HD13 ' HD2' ' A' ' 9' ' ' LYS . 3.4 mt -61.42 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.665 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -73.2 -35.96 66.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 110.404 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.481 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.7 OUTLIER -60.04 -38.71 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.52 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -61.74 -47.53 84.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.57 ' CZ ' ' HA3' ' A' ' 5' ' ' GLY . 1.5 t80 -71.8 -49.34 39.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.665 HD22 ' CG2' ' A' ' 84' ' ' THR . 6.3 mp -57.84 -38.62 75.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 93' ' ' ALA . 77.5 mt -72.61 -51.14 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.425 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -38.53 -34.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.266 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -46.09 68.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.83 ' HB3' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.87 1.07 56.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -174.1 80.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 p -81.53 6.98 13.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.013 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -91.41 -84.91 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.47 ' HB3' HG21 ' A' ' 116' ' ' ILE . 2.6 mtt180 -98.38 104.53 16.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.533 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -116.89 172.16 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.533 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.1 p -97.5 147.14 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -116.21 -173.99 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.581 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.01 115.83 7.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.5 p -108.36 149.4 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.228 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.811 HG13 ' N ' ' A' ' 57' ' ' GLY . 1.6 t -123.53 67.76 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.78 176.72 8.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -105.22 136.33 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.736 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -144.5 135.05 24.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.589 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 29.2 mt-10 -100.35 146.16 27.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -136.92 146.09 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.48 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -156.41 161.68 31.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.781 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -155.7 158.43 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.784 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.7 p -109.01 -23.88 11.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.94 -52.3 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.64 -26.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.19 -75.59 0.76 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.8 OUTLIER -79.87 137.2 36.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.225 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.781 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -129.39 169.03 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 116' ' ' ILE . 2.8 pp -131.99 140.21 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.589 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -133.07 153.53 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -173.09 122.25 0.39 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.736 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 3.9 mp -81.3 51.33 1.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.613 1.196 . . . . 0.0 109.368 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 120' ' ' LEU . 9.6 t-20 61.54 139.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 mtt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.506 0.193 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -176.41 149.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -102.43 137.99 39.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.504 ' HG2' ' CH2' ' A' ' 6' ' ' TRP . 0.2 OUTLIER 169.47 -172.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 110.304 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.643 ' N ' ' CE2' ' A' ' 87' ' ' PHE . . . -110.45 -152.23 13.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.636 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 42.16 41.98 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 t -73.64 76.26 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.958 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 38.54 62.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -76.08 -78.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.29 -90.46 0.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.424 ' C ' HD13 ' A' ' 15' ' ' LEU . 9.5 mt -80.22 6.03 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -39.84 -33.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -56.41 22.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.413 1.071 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' CB ' HG22 ' A' ' 11' ' ' ILE . 1.5 tt0 -59.39 -30.13 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 110.333 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.682 HD21 ' N ' ' A' ' 81' ' ' ASP . 7.4 mp -69.73 -47.6 62.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -36.9 71.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -73.77 -27.77 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -80.93 123.27 28.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.401 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.698 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 1.0 OUTLIER 178.19 46.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.539 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.1 mm-40 -68.33 63.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' ARG . 74.4 m-20 54.42 23.13 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 20' ' ' GLN . 9.1 t -96.53 -126.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.491 ' H ' HG12 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -57.59 -70.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 39.35 57.13 2.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.751 HD12 ' HG ' ' A' ' 88' ' ' LEU . 32.2 mt -74.6 -31.3 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.636 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 1.6 pp20? -67.42 -43.33 81.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -52.27 29.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.556 ' HB3' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -57.8 -56.11 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -46.73 -60.62 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -59.47 -18.11 36.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.32 45.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 46.47 35.54 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.556 HD12 ' HB3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -57.04 161.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 5.5 tt0 -168.75 -50.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER 167.26 80.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 t -145.32 -70.76 0.27 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 1.123 . . . . 0.0 109.958 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' HG2' ' NZ ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -48.87 -57.59 6.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.365 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.2 m120 66.82 47.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.4 m -73.53 -86.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.408 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.824 HD12 ' HB3' ' A' ' 92' ' ' LYS . 1.4 pt? -46.22 -28.4 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -64.97 -57.74 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -53.87 -32.52 53.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -80.21 -25.45 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -68.07 -41.49 81.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.551 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.5 t -51.72 -42.42 62.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 46' ' ' LEU . 1.6 mt -39.9 -55.08 2.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 66.19 59.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.71 147.81 34.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.456 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.5 Cg_endo -74.88 149.07 36.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 111.069 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.456 HG23 ' C ' ' A' ' 49' ' ' PRO . 50.9 t -153.83 154.29 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.78 141.35 18.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.643 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -157.9 147.64 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.583 HD21 ' HG2' ' A' ' 55' ' ' ARG . 2.4 tt -96.34 149.13 22.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.699 ' HB3' HD11 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -116.9 131.86 56.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 108.293 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.583 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -121.5 -172.8 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 126.42 16.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.707 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -47.38 -33.35 8.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.422 1.077 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.4 -19.39 9.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.926 HG23 HD13 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -115.6 10.67 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.389 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.471 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 6.0 tp -57.37 -41.72 80.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.876 ' HA ' HD12 ' A' ' 64' ' ' ILE . 6.1 p-10 -54.65 -48.87 71.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.3 tt0 -73.48 -39.96 64.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.926 HD13 HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -58.56 -27.78 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 61' ' ' ASP . 9.3 mt -61.44 -49.9 82.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 2.7 pttt -63.64 -33.49 75.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.518 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.2 mmp_? -73.64 -33.73 64.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.643 HD23 ' CG2' ' A' ' 52' ' ' ILE . 25.1 mt -61.93 -49.14 77.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -46.4 -51.83 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 2.8 mm-40 -53.3 -22.6 7.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.388 1.055 . . . . 0.0 110.258 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.539 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.4 mm-40 -93.51 -42.25 9.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' GLU . 75.2 m -91.7 -65.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.0 t30 -39.29 -30.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.84 -53.51 56.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.5 pp20? -93.53 4.51 53.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -124.72 -170.55 13.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 2.8 mm -91.87 162.96 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 0.738 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.486 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 6.8 t-160 -53.64 99.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.661 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.413 HG13 ' H ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -134.94 138.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.5 pt -116.78 52.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 3.4 m-70 -87.82 168.31 13.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.682 ' N ' HD21 ' A' ' 15' ' ' LEU . 70.3 m-20 -107.57 161.66 14.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.4 t -60.74 -30.23 69.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 mt -74.53 -34.58 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.656 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -77.46 -33.37 54.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -59.93 -38.16 81.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.48 82.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.234 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.643 ' CE2' ' N ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -70.99 -46.75 61.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.946 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.751 ' HG ' HD12 ' A' ' 25' ' ' ILE . 5.6 mp -62.43 -50.12 72.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 85' ' ' LEU . 52.9 mt -62.06 -50.24 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.466 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 7.1 mtt180 -39.07 -35.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.809 ' HB3' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -67.82 -45.28 75.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.824 ' HB3' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.78 1.1 56.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.752 ' HB1' ' OD1' ' A' ' 113' ' ' ASP . . . -170.57 78.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.7 p -76.76 0.8 19.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -87.12 -96.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.45 ' HB3' HG21 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -89.86 108.95 20.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -116.54 171.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.556 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.5 p -93.11 148.54 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -122.4 -174.04 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.583 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.466 ' HD3' HD13 ' A' ' 60' ' ' LEU . 6.8 ppt_? -165.99 119.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.17 150.05 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.707 HG23 ' N ' ' A' ' 57' ' ' GLY . 14.3 p -111.41 82.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -177.26 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.94 176.98 8.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.443 ' O ' HD23 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -104.3 139.26 39.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.581 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -155.36 137.03 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.615 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 15.7 mt-10 -104.92 139.85 39.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.699 HD11 ' HB3' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -129.56 137.86 55.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.497 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -151.55 166.61 30.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.709 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.7 OUTLIER -153.2 159.07 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.3 p -112.49 -24.39 9.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 110.366 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -144.82 -52.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.752 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 0.3 OUTLIER 159.48 -26.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.95 -63.74 1.72 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.096 . . . . 0.0 110.955 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.1 mt-10 -82.75 127.71 33.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 0.736 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.709 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.8 OUTLIER -118.59 169.66 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.281 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.497 HD11 ' HA3' ' A' ' 109' ' ' GLY . 2.6 pp -132.55 140.57 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.615 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -126.38 153.14 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -169.12 116.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.581 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 3.1 mp -81.12 51.2 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 120' ' ' LEU . 10.6 t-20 61.41 141.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.3 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.15 . . . . 0.0 109.952 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 mtm . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.513 0.196 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.9 -66.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.27 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.536 ' CD ' ' CZ3' ' A' ' 6' ' ' TRP . 1.3 tt0 -108.77 149.38 29.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.0 52.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.488 ' HA3' ' CD2' ' A' ' 87' ' ' PHE . . . -149.55 -70.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.461 1.101 . . . . 0.0 111.031 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.636 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -99.98 44.16 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.4 t -70.73 -53.77 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -175.29 68.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' HG2' ' CD1' ' A' ' 83' ' ' ILE . 9.3 tptt -84.93 -76.65 0.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -157.24 -82.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.435 HG22 HD12 ' A' ' 15' ' ' LEU . 12.9 mt -66.35 -8.35 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.97 -36.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -57.19 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.547 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -55.98 -26.34 47.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.533 HD23 HG21 ' A' ' 84' ' ' THR . 6.9 mp -77.91 -44.55 26.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -56.35 -30.86 63.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.393 1.058 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 3.6 m -77.01 -27.98 54.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.426 ' HB ' HD11 ' A' ' 79' ' ' ILE . 0.6 OUTLIER -89.69 156.87 18.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.957 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 2.5 ptt180 -176.45 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.42 ' C ' ' N ' ' A' ' 22' ' ' VAL . 1.6 tp60 47.18 22.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' ARG . 6.4 m120 46.74 23.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.42 ' N ' ' C ' ' A' ' 20' ' ' GLN . 3.8 t -117.35 -20.38 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.49 ' CB ' ' NE2' ' A' ' 80' ' ' HIS . 21.7 m -146.89 16.49 1.23 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.565 1.166 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.957 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . -71.99 59.31 0.36 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 88' ' ' LEU . 4.3 mt -72.11 -32.55 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.636 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -73.42 -40.74 64.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.546 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -68.27 -49.94 57.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.08 -57.03 14.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.413 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . . . -44.71 -55.7 5.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -63.88 -21.41 66.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' LYS . 3.2 mm-40 -79.76 46.82 0.8 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 45.76 33.64 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -49.04 148.1 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.38 -51.62 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.607 1.192 . . . . 0.0 110.338 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -115.19 2.97 14.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.503 ' OG ' ' CD2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER 64.09 14.4 8.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.452 1.095 . . . . 0.0 110.027 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 49.77 28.88 2.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m120 52.79 29.99 8.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 m -73.86 -84.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.581 HD12 ' HD2' ' A' ' 92' ' ' LYS . 0.9 OUTLIER -45.48 -30.66 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.09 -57.37 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -51.26 -34.57 33.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -81.97 -22.52 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.514 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -68.16 -41.03 82.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.514 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.4 t -49.33 -43.16 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.5 mt -38.97 -55.28 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.61 53.17 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.8 p -86.08 144.94 39.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.421 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.5 Cg_endo -74.98 150.96 39.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 111.019 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.458 ' C ' ' CD ' ' A' ' 51' ' ' ARG . 52.5 t -151.95 156.93 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.532 ' N ' ' CD ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -153.74 141.45 20.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.734 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -158.52 149.24 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.494 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -99.25 147.54 25.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.177 . . . . 0.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.587 ' HB2' HD11 ' A' ' 108' ' ' ILE . 49.6 t -112.08 130.3 55.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 108.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.494 ' HG2' HD21 ' A' ' 53' ' ' LEU . 2.0 mmm-85 -119.77 -173.46 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.8 128.72 24.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.845 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -50.68 -32.11 24.22 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.576 1.173 . . . . 0.0 111.025 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.33 -16.87 50.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.787 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -116.35 8.34 14.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.374 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD12 HG21 ' A' ' 63' ' ' ILE . 7.2 tp -54.0 -42.27 68.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.771 ' HA ' HD12 ' A' ' 64' ' ' ILE . 3.1 p30 -54.1 -49.35 69.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 2.6 tt0 -73.53 -41.3 63.21 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.587 HG23 HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -58.67 -28.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.82 ' HA ' HD12 ' A' ' 67' ' ' LEU . 10.0 mt -62.03 -51.97 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.428 1.08 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.523 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -60.4 -33.98 73.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.523 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.3 mmt180 -73.39 -34.86 65.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.247 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.82 HD12 ' HA ' ' A' ' 64' ' ' ILE . 6.2 mt -60.72 -48.95 79.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.633 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -45.26 -50.98 11.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.86 -23.61 45.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.53 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 2.3 mm-40 -89.72 -42.24 11.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 75' ' ' GLY . 68.5 m -91.91 -62.79 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.633 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.3 t30 -39.72 -36.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -51.51 66.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.6 pt-20 -96.84 5.92 49.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.73 -169.58 12.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 4.0 mm -93.04 163.04 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.488 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -54.66 99.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.57 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.605 ' CG1' ' CD2' ' A' ' 80' ' ' HIS . 75.7 t -134.77 134.82 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.547 HD11 ' O ' ' A' ' 14' ' ' GLU . 26.1 pt -108.19 48.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.605 ' CD2' ' CG1' ' A' ' 78' ' ' VAL . 6.8 m-70 -87.43 167.62 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.627 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.665 ' O ' HD13 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -122.66 166.11 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t -54.98 -28.69 53.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.465 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 18.5 mt -69.52 -44.84 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.637 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -76.46 -33.19 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 81' ' ' ASP . 5.7 mp -60.16 -40.83 91.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -63.31 -43.8 96.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CD2' ' HA3' ' A' ' 5' ' ' GLY . 1.6 t80 -71.22 -51.16 26.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.637 HD22 ' CG2' ' A' ' 84' ' ' THR . 5.4 mp -58.17 -49.25 77.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 93' ' ' ALA . 71.6 mt -61.85 -49.26 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.1 -35.88 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -74.6 -43.65 54.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.581 ' HD2' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -85.21 0.78 50.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -177.8 80.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 t -78.97 3.21 17.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.189 . . . . 0.0 110.035 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -87.1 -78.81 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.6 ' CB ' HG21 ' A' ' 116' ' ' ILE . 1.0 OUTLIER -106.14 110.7 23.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.422 1.076 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.7 OUTLIER -116.03 172.48 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.9 p -95.37 140.42 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.21 -171.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.572 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -146.34 118.41 8.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.31 149.56 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.845 HG13 ' N ' ' A' ' 57' ' ' GLY . 2.0 t -127.48 65.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.9 -43.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.0 t -129.99 176.31 8.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.518 ' O ' HD23 ' A' ' 120' ' ' LEU . 67.5 t0 -101.66 136.5 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.383 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.531 ' CD1' ' HG ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -148.61 135.21 19.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 60.2 mt-10 -104.65 145.08 30.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.629 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -139.4 140.91 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.426 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -157.08 165.05 33.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.739 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -144.76 166.34 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.484 ' N ' HG13 ' A' ' 110' ' ' VAL . 82.7 p -114.93 -26.99 7.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.76 -50.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.329 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.494 ' OD1' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 159.26 -24.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.33 -75.23 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.719 ' O ' HG22 ' A' ' 110' ' ' VAL . 15.7 tt0 -78.71 153.04 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 0.713 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.739 HG22 HG23 ' A' ' 110' ' ' VAL . 1.2 pp -135.36 167.1 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 116' ' ' ILE . 1.9 pp -132.48 140.33 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 15.0 p -133.69 154.44 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -173.33 124.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.531 ' HG ' ' CD1' ' A' ' 106' ' ' PHE . 3.4 mp -81.43 51.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.9 t30 61.38 140.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.509 0.195 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -172.98 156.32 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -121.09 146.34 46.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 176.96 161.26 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.593 ' HA3' ' CE1' ' A' ' 87' ' ' PHE . . . 70.28 152.83 0.86 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.576 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 39.19 48.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLN . 80.8 p -71.59 61.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.704 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER 38.37 52.69 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -69.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -136.75 -89.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.8 mt -75.43 -0.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.704 ' HB3' ' HA ' ' A' ' 8' ' ' GLN . . . -44.4 -38.79 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -57.68 10.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 18' ' ' THR . 0.3 OUTLIER -55.17 -34.74 64.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -61.9 -53.79 50.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.064 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -52.68 -35.87 56.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 m -77.64 -27.33 51.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 110.44 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -84.35 174.99 9.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.498 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.515 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 20.6 ptt180 168.89 -43.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.614 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.7 OUTLIER 41.92 33.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 48.25 23.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.757 ' O ' HG12 ' A' ' 22' ' ' VAL . 33.2 t -93.67 61.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 1.5 t 89.37 -38.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 34.53 52.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.519 HD12 ' HG ' ' A' ' 88' ' ' LEU . 63.3 mt -49.11 -23.86 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.576 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 18.4 mp0 -72.96 -57.89 3.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.429 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 2.0 mmp_? -62.76 -34.18 76.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 6.8 mmtm -65.56 -62.84 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . . . -47.17 -39.52 13.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -23.23 55.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -81.24 46.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 46.57 35.12 2.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -47.39 120.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -175.1 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -134.26 20.67 3.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.67 37.18 3.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 2.2 mtm180 -81.9 -149.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.253 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.558 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER 86.89 1.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.493 ' CG2' ' HA ' ' A' ' 23' ' ' SER . 19.7 m -78.76 -87.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.09 . . . . 0.0 110.341 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.788 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -46.28 -24.88 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.788 ' N ' HD22 ' A' ' 40' ' ' LEU . 22.6 t70 -73.94 -54.72 7.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -47.74 -39.87 18.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -78.26 -35.02 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG3' ' CG ' ' A' ' 92' ' ' LYS . 1.5 ttmt -52.67 -34.3 51.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' LEU . 46.6 t -48.87 -47.21 43.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 43' ' ' VAL . 1.7 mt -39.7 -58.14 1.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 60.6 55.82 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.6 p -90.05 146.54 35.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.929 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.62 35.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.5 t -148.22 161.5 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 52' ' ' ILE . 31.0 ttp85 -158.47 141.69 14.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.805 HG22 HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -163.02 148.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.371 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.805 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -99.58 148.2 24.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.55 ' HB2' HD11 ' A' ' 108' ' ' ILE . 51.6 t -108.83 127.28 53.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 108.258 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.805 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -115.3 -173.63 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.23 128.35 24.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.36 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.72 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -49.68 -34.57 21.32 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -57.51 -20.22 29.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -114.45 8.23 16.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.115 . . . . 0.0 110.439 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 9.9 tp -52.41 -41.09 62.9 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.772 ' HA ' HD12 ' A' ' 64' ' ' ILE . 11.8 p-10 -58.0 -47.69 82.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 4.1 tt0 -73.78 -41.53 62.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -56.56 -26.41 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 61' ' ' ASP . 12.8 mt -64.97 -48.97 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.895 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -62.35 -34.1 76.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.545 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 8.9 mmt180 -75.49 -35.42 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.805 HD22 HG22 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -71.28 -42.55 68.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.895 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -46.43 -44.43 17.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.2 mm-40 -54.25 -26.29 27.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.547 ' HB2' HG23 ' A' ' 52' ' ' ILE . 8.1 mm-40 -94.57 -41.75 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -83.8 -66.27 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.5 t30 -40.43 -28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.412 1.07 . . . . 0.0 109.222 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -70.53 -52.8 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 71' ' ' SER . 69.5 mm-40 -73.31 -34.62 65.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 72' ' ' ASN . . . -103.18 -168.2 25.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 1.001 ' O ' HG23 ' A' ' 78' ' ' VAL . 7.4 mm -91.8 162.34 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.465 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 1.6 t-80 -49.69 99.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.583 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 76' ' ' ILE . 25.4 t -130.74 144.65 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.525 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -112.32 50.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.782 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -86.65 138.61 31.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.522 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.699 ' H ' HD11 ' A' ' 15' ' ' LEU . 71.1 m-20 -88.63 162.68 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -27.75 38.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.554 HG23 ' NH1' ' A' ' 100' ' ' ARG . 9.8 mt -75.73 -35.69 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.672 HG22 HD22 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -80.06 -33.95 38.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.426 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.579 HD11 ' CG ' ' A' ' 80' ' ' HIS . 4.0 mp -56.27 -43.37 78.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.444 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -61.75 -41.52 97.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.593 ' CE1' ' HA3' ' A' ' 5' ' ' GLY . 2.6 t80 -71.7 -52.77 16.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.672 HD22 HG22 ' A' ' 84' ' ' THR . 4.7 mp -59.11 -36.58 75.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 93' ' ' ALA . 72.1 mt -73.4 -46.31 49.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 94' ' ' SER . 4.1 mtt180 -41.66 -41.27 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -40.94 96.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.19 0.79 56.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.71 ' HB2' ' CB ' ' A' ' 113' ' ' ASP . . . -175.77 81.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.373 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 90' ' ' ARG . 59.9 p -78.14 0.39 25.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -91.25 -80.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.594 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.487 ' CB ' HG21 ' A' ' 116' ' ' ILE . 9.4 mtt180 -100.42 109.87 22.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 110.221 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.533 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.7 OUTLIER -117.36 171.78 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.533 ' H ' HG22 ' A' ' 97' ' ' ILE . 3.4 p -95.66 122.71 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -84.92 175.24 9.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.574 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.554 ' NH1' HG23 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -142.09 100.49 3.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.147 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.1 p -106.73 149.54 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.72 HG23 ' N ' ' A' ' 57' ' ' GLY . 14.5 p -123.84 86.37 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.25 -37.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.13 176.46 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -103.89 134.91 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.774 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -149.42 136.09 19.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 111.059 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 13.2 mt-10 -103.1 146.6 28.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.609 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -138.67 143.02 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -152.23 163.08 30.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.738 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -153.19 162.09 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 0.769 . . . . 0.0 109.358 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.419 ' N ' HG13 ' A' ' 110' ' ' VAL . 80.6 p -112.82 -25.86 8.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -147.23 -52.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.71 ' CB ' ' HB2' ' A' ' 93' ' ' ALA . 0.2 OUTLIER 163.04 -27.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.91 -73.68 1.02 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.6 pm0 -78.77 136.64 37.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 0.778 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.738 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.0 OUTLIER -131.35 171.51 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 1.0 OUTLIER -133.29 146.73 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.564 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.26 153.63 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -173.99 122.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.774 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.7 mp -82.54 50.6 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.597 ' CG ' ' O ' ' A' ' 120' ' ' LEU . 6.8 p30 56.91 143.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.476 0.179 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.74 125.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 110.244 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.17 127.37 36.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.417 HH21 ' HE3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 175.64 167.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 134.2 -144.71 16.74 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.409 1.068 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.628 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -99.88 48.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 p -83.94 -44.81 13.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 176.62 64.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.836 ' HG2' HD12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -81.57 -76.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -158.17 -78.3 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' ALA . 13.7 mt -66.37 -7.0 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.99 -37.95 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 11.6 ptp180 -57.15 -53.83 53.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 13' ' ' ARG . 2.6 tt0 -59.62 -30.1 68.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 18' ' ' THR . 7.3 mp -70.29 -49.86 45.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -54.74 -34.74 62.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.8 m -78.83 -27.97 44.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -68.68 -170.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.585 ' N ' HG23 ' A' ' 18' ' ' THR . 0.3 OUTLIER 84.88 122.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.9 56.45 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.39 1.056 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 72.73 20.95 3.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.792 HG13 ' N ' ' A' ' 23' ' ' SER . 3.1 p -93.18 -146.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.359 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.792 ' N ' HG13 ' A' ' 22' ' ' VAL . 9.0 p -49.12 -61.08 2.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 37.78 55.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' A' ' 88' ' ' LEU . 96.7 mt -51.8 -27.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.386 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.628 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 14.4 pt-20 -72.95 -50.68 22.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 19' ' ' ARG . 2.3 ttt85 -60.89 -43.44 98.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -63.61 -60.39 3.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.68 -44.75 27.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.6 1.187 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 mmt -71.63 -20.62 61.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -80.27 46.28 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 46.66 33.93 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -50.49 126.0 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -177.85 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.337 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.58 42.21 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 m -140.91 -91.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 19.5 mtp180 50.22 -161.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 15.7 t30 82.23 -0.75 1.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.4 ' C ' ' N ' ' A' ' 41' ' ' ASP . 20.5 m -75.84 -90.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.854 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -43.89 -28.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.854 ' N ' HD22 ' A' ' 40' ' ' LEU . 18.9 t70 -66.88 -57.0 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -52.98 -31.92 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -81.15 -27.63 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.607 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -67.06 -35.04 78.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.607 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 34.6 t -56.95 -42.4 80.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.084 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 46' ' ' LEU . 1.4 mt -38.35 -49.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.472 ' CE ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER 67.81 62.51 0.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 p -101.22 129.93 26.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.426 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.3 Cg_endo -74.96 151.28 39.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.641 HG13 ' OE2' ' A' ' 74' ' ' GLU . 41.2 t -152.31 145.45 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 131.72 26.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.746 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -151.51 147.58 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.696 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -96.5 148.66 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.641 ' CB ' HD11 ' A' ' 108' ' ' ILE . 19.3 t -112.66 126.34 55.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.64 1.213 . . . . 0.0 108.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.696 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -113.61 -173.48 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -52.21 127.07 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.837 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -47.54 -25.21 3.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.92 -35.34 79.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -100.11 8.46 43.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.369 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.726 HD22 ' HD3' ' A' ' 100' ' ' ARG . 10.0 tp -50.06 -40.42 45.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.678 ' HA ' HD12 ' A' ' 64' ' ' ILE . 5.8 p-10 -58.17 -49.67 76.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -72.42 -41.2 66.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.6 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -54.99 -31.54 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.222 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 61' ' ' ASP . 11.8 mt -63.08 -44.83 99.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.635 1.209 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.608 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -61.64 -40.71 95.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -72.16 -35.1 68.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.746 HD13 ' HB ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -64.29 -50.37 68.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.608 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.88 -44.24 29.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 2.8 mm-40 -58.07 -24.13 57.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.366 1.042 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.492 ' HB2' HG23 ' A' ' 52' ' ' ILE . 5.8 mm-40 -93.09 -40.62 10.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' GLY . 65.7 m -87.61 -65.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.5 t30 -39.21 -35.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -58.59 -52.42 65.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.216 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.641 ' OE2' HG13 ' A' ' 50' ' ' VAL . 15.8 pt-20 -93.76 6.42 48.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -127.0 -173.28 13.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.8 tp -92.42 162.75 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.4 ' N ' HG13 ' A' ' 76' ' ' ILE . 2.2 t-80 -47.55 99.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.625 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.98 138.45 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.414 ' CD1' ' HG2' ' A' ' 14' ' ' GLU . 12.0 pt -125.94 50.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.413 ' O ' HG23 ' A' ' 64' ' ' ILE . 34.4 m170 -87.64 164.41 16.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.634 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.735 ' O ' HD13 ' A' ' 85' ' ' LEU . 96.6 m-20 -98.06 172.82 7.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -29.3 66.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.836 HD12 ' HG2' ' A' ' 9' ' ' LYS . 8.6 mt -74.85 -33.69 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.561 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -74.98 -36.51 62.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.735 HD13 ' O ' ' A' ' 81' ' ' ASP . 6.0 mp -58.4 -40.7 83.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.0 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.14 -51.09 26.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.633 ' HA ' HD12 ' A' ' 25' ' ' ILE . 5.6 mp -59.04 -49.84 76.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.62 ' O ' ' N ' ' A' ' 93' ' ' ALA . 54.4 mt -61.5 -51.62 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.478 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 2.8 mtt180 -38.47 -34.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.488 ' HB2' HD13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -69.11 -48.21 63.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -90.18 1.69 56.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.683 ' HB2' ' CG ' ' A' ' 113' ' ' ASP . . . -163.52 75.16 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.9 p -81.38 6.48 14.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.52 1.138 . . . . 0.0 110.048 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -95.27 -79.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.607 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.48 112.25 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.559 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -115.73 171.98 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.559 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.3 p -88.48 132.93 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -89.84 167.09 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.53 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.726 ' HD3' HD22 ' A' ' 60' ' ' LEU . 7.5 tmm_? -141.88 100.67 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.3 p -109.43 149.6 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.837 HG23 ' N ' ' A' ' 57' ' ' GLY . 8.4 p -123.06 84.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -176.7 -38.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.23 176.55 8.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -103.06 136.98 41.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.736 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.73 138.07 17.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.595 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 44.8 mt-10 -103.64 146.62 28.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.641 HD11 ' CB ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -138.01 141.03 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.617 1.198 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.31 162.67 29.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.538 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.6 OUTLIER -148.87 161.4 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.413 ' N ' HG13 ' A' ' 110' ' ' VAL . 30.9 p -115.13 -23.26 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 110.355 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.14 -50.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.683 ' CG ' ' HB2' ' A' ' 93' ' ' ALA . 3.8 m-20 158.04 -23.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.38 -72.43 1.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 110' ' ' VAL . 12.1 mt-10 -80.04 139.3 36.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.538 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -128.22 168.12 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 116' ' ' ILE . 1.0 OUTLIER -132.3 140.95 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.595 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -130.06 153.84 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 2.0 t70 -172.11 121.15 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.736 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.8 mp -81.73 51.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.1 t-20 61.37 138.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 mmm . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.467 0.175 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.37 -32.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.08 126.33 31.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.58 -166.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.541 ' HA3' ' CD1' ' A' ' 87' ' ' PHE . . . 82.78 -73.89 2.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.611 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -101.31 45.17 0.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -60.9 2.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -170.12 58.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -75.74 -78.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -148.49 -82.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.473 ' O ' HD13 ' A' ' 15' ' ' LEU . 12.3 mt -75.55 -0.13 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.25 -45.86 17.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -52.43 -48.88 65.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 1.9 tt0 -64.51 -26.67 68.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.74 ' O ' HG22 ' A' ' 18' ' ' THR . 10.1 mp -81.08 -25.62 36.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.46 -42.21 65.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 t -71.0 -27.74 63.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -72.35 160.95 31.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.64 ' CG ' ' HB2' ' A' ' 24' ' ' ALA . 1.5 ttm-85 179.25 -59.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.751 ' HB3' HG23 ' A' ' 22' ' ' VAL . 42.0 tp60 46.81 35.21 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 52.52 21.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.751 HG23 ' HB3' ' A' ' 20' ' ' GLN . 87.8 t -71.74 -110.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.646 ' N ' HG12 ' A' ' 22' ' ' VAL . 21.6 p -84.1 -40.3 18.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.64 ' HB2' ' CG ' ' A' ' 19' ' ' ARG . . . 39.09 48.95 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 56.5 mt -74.23 -22.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.611 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 2.6 tt0 -74.0 -53.47 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.496 ' CB ' ' NH2' ' A' ' 19' ' ' ARG . 3.2 mmt180 -67.35 -45.79 75.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 10.6 mmtt -59.4 -57.96 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -47.23 -51.82 17.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -19.95 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -80.6 46.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 45.7 35.16 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.147 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -53.91 145.49 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -162.89 28.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.339 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 7.6 tttt 81.15 85.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m -155.37 -44.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -40.14 86.97 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 60.87 36.88 18.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.8 m -70.26 -88.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.439 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.855 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -44.92 -29.21 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.855 ' N ' HD22 ' A' ' 40' ' ' LEU . 23.2 t70 -63.47 -52.07 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 1.3 t80 -61.54 -30.08 70.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.1 t -80.65 -22.26 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.495 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -75.86 -41.42 52.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 33.3 t -60.4 -32.71 71.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.3 mt -38.06 -51.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.597 ' HE2' HH21 ' A' ' 112' ' ' ARG . 0.0 OUTLIER 70.84 67.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 60.1 m -118.57 134.21 23.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.068 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.482 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.0 Cg_endo -75.0 156.03 42.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.482 HG23 ' C ' ' A' ' 49' ' ' PRO . 85.3 t -155.55 159.73 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 52' ' ' ILE . 9.9 ttt180 -156.62 139.63 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.247 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.637 ' CG2' HD22 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -163.77 148.6 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.839 ' O ' HD21 ' A' ' 67' ' ' LEU . 2.7 tt -99.88 141.21 33.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.535 ' CB ' HD11 ' A' ' 108' ' ' ILE . 10.9 t -114.06 139.38 49.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.587 ' HG2' HD21 ' A' ' 53' ' ' LEU . 1.4 mtt180 -119.56 -171.76 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 110.253 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.547 ' HB3' HG23 ' A' ' 102' ' ' VAL . 7.6 mtm180 -50.47 138.2 17.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.17 -21.29 1.74 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.447 1.092 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 59' ' ' THR . 2.4 t0 -66.57 -78.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.773 HG23 HD13 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -60.19 -7.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.445 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.429 HD21 ' CG1' ' A' ' 83' ' ' ILE . 4.8 tp -47.85 -41.02 23.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.834 ' HA ' HD12 ' A' ' 64' ' ' ILE . 8.3 p-10 -53.96 -50.04 67.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.14 -35.37 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.773 HD13 HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -62.87 -24.1 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.237 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' A' ' 61' ' ' ASP . 6.3 mt -64.65 -47.93 86.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.955 ' HA ' HD23 ' A' ' 68' ' ' LEU . 4.1 pttt -67.23 -33.87 76.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.514 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 4.3 mtp180 -74.33 -34.9 63.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.839 HD21 ' O ' ' A' ' 53' ' ' LEU . 29.3 mt -71.63 -44.26 64.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.955 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -46.97 -44.61 20.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -55.58 -24.44 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.504 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.3 mm-40 -93.3 -42.37 9.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -85.74 -66.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.0 t30 -40.12 -30.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -58.32 -54.58 45.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -83.43 3.69 30.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.53 -173.2 13.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.413 1.071 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 6.2 mm -91.64 163.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.496 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 36.3 t-80 -48.8 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.633 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.75 HG21 HG11 ' A' ' 22' ' ' VAL . 12.7 t -135.66 144.54 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 pt -118.06 51.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.476 ' H ' HG12 ' A' ' 78' ' ' VAL . 64.9 m170 -87.23 166.77 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.63 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.7 ' N ' HD21 ' A' ' 15' ' ' LEU . 6.8 m-20 -117.13 163.29 16.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 m -58.54 -32.34 68.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.429 ' CG1' HD21 ' A' ' 60' ' ' LEU . 4.4 mt -69.87 -39.97 78.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.747 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -73.66 -35.12 65.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.368 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 81' ' ' ASP . 5.4 mp -60.07 -37.93 81.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.55 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -61.91 -47.0 86.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.541 ' CD1' ' HA3' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -71.2 -50.09 36.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.747 HD22 ' CG2' ' A' ' 84' ' ' THR . 4.2 mp -56.63 -50.34 72.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.612 ' O ' ' N ' ' A' ' 93' ' ' ALA . 67.7 mt -60.45 -51.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.467 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -38.02 -34.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -46.9 64.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -90.0 0.63 57.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.689 ' HB2' ' CG ' ' A' ' 113' ' ' ASP . . . -167.15 77.62 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.1 t -80.3 5.08 15.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -88.29 -86.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.565 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.81 110.75 22.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 110.298 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.55 HG21 ' O ' ' A' ' 86' ' ' ALA . 0.7 OUTLIER -115.89 172.22 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.687 HG23 HG12 ' A' ' 108' ' ' ILE . 2.1 p -94.8 146.76 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -170.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.612 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.4 121.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.3 p -129.8 148.61 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 102' ' ' VAL . 12.9 p -96.45 84.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.434 ' N ' ' HG2' ' A' ' 56' ' ' ARG . 7.4 tttt -162.46 -52.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 t -135.73 176.62 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.739 ' O ' HD23 ' A' ' 120' ' ' LEU . 59.3 t0 -96.88 146.53 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.894 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.65 137.96 17.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.629 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 92.5 mt-10 -101.03 142.6 32.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.687 HG12 HG23 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -135.07 137.64 50.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.07 152.74 24.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 1.044 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -138.74 171.64 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.552 ' N ' HG13 ' A' ' 110' ' ' VAL . 4.8 p -118.46 -28.74 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 110.479 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.597 HH21 ' HE2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -149.69 -46.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.689 ' CG ' ' HB2' ' A' ' 93' ' ' ALA . 2.8 m-20 155.52 -21.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.48 -76.95 0.69 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.569 1.168 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.718 ' O ' HG22 ' A' ' 110' ' ' VAL . 19.9 tt0 -78.63 153.51 31.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 110.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 1.044 HG22 HG23 ' A' ' 110' ' ' VAL . 2.8 pp -136.44 164.86 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.365 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.5 pt -134.48 140.49 45.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.629 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -132.67 153.62 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.234 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -172.15 120.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.894 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 3.2 mp -82.07 51.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 4.4 t30 61.38 141.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.48 0.181 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 2' ' ' ARG . 2.6 ttm105 -171.51 -71.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.92 135.84 45.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 174.27 149.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.581 ' HA3' ' CZ ' ' A' ' 87' ' ' PHE . . . 73.42 161.17 6.57 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.725 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 41.48 41.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' GLN . 10.5 t -76.93 71.68 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 1.8 mt-30 38.76 67.19 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.939 ' HD2' HG21 ' A' ' 83' ' ' ILE . 4.2 mttp -83.23 -76.17 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.84 -81.88 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.746 ' O ' HD13 ' A' ' 15' ' ' LEU . 7.2 mt -88.33 13.66 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.658 ' HB3' ' HA ' ' A' ' 8' ' ' GLN . . . -49.63 -39.63 36.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -54.59 -58.4 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.662 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -60.44 -24.42 65.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 11' ' ' ILE . 10.5 mp -71.29 -59.84 2.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -50.39 -33.19 19.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.7 m -70.87 -27.47 63.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.453 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.3 t -84.63 169.5 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.504 ' CB ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 164.2 -40.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.701 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.1 tp60 48.22 23.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.242 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 42.1 27.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 20' ' ' GLN . 33.9 t -123.66 4.91 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -156.46 -88.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . . . 39.82 62.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.845 HD12 ' HG ' ' A' ' 88' ' ' LEU . 40.3 mt -69.99 -23.47 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.725 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -73.79 -39.94 63.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.1 mmt-85 -70.58 -53.87 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -57.07 -56.36 22.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -46.24 -61.63 1.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -58.75 -18.62 33.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.26 45.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.3 m120 45.96 35.49 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.389 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -55.32 165.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 5.7 pt-20 174.67 -39.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 1.1 tmtt? 163.1 87.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.3 m -147.72 -72.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.062 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 3.3 mpt_? -50.83 -67.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 1.3 t-20 82.94 31.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.1 m -73.87 -85.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.848 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -45.84 -27.97 0.98 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.848 ' N ' HD22 ' A' ' 40' ' ' LEU . 9.1 t70 -66.46 -55.79 14.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -54.0 -35.35 61.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -79.26 -25.59 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -33.79 73.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' LEU . 46.6 t -59.29 -39.11 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.3 mt -39.42 -49.51 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.378 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.746 ' HE2' HH21 ' A' ' 112' ' ' ARG . 0.0 OUTLIER 68.24 64.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.34 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.9 p -105.37 140.41 21.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.481 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -74.99 160.28 40.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 110.993 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.678 HG13 ' OE2' ' A' ' 74' ' ' GLU . 67.3 t -155.27 148.41 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttp85 -146.38 137.88 24.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.277 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.702 ' CG2' HD22 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -156.12 147.64 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.729 ' O ' HD21 ' A' ' 67' ' ' LEU . 9.0 tt -95.47 149.09 21.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.914 ' HB2' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -116.62 136.79 52.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 108.289 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' HB2' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -120.95 -172.94 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -51.36 131.14 28.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.629 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -50.48 -20.44 3.76 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.085 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.487 ' H ' HG23 ' A' ' 102' ' ' VAL . 8.0 t0 -72.35 -35.86 68.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 0.784 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -102.05 10.0 39.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.576 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 14.2 tp -56.0 -40.85 73.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 62' ' ' GLU . 8.5 p-10 -56.39 -49.45 74.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -72.18 -42.05 66.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.52 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -55.62 -35.15 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.764 HD11 ' OG ' ' A' ' 82' ' ' SER . 0.6 OUTLIER -61.74 -38.75 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.764 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -64.25 -43.32 95.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.09 -34.02 68.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.729 HD21 ' O ' ' A' ' 53' ' ' LEU . 25.8 mt -67.75 -45.68 74.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -46.05 -45.37 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.416 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.5 mm-40 -55.38 -24.92 32.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 67' ' ' LEU . 8.8 mm-40 -94.25 -42.08 9.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.566 ' OG ' HD13 ' A' ' 52' ' ' ILE . 66.4 m -84.35 -67.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.913 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 68' ' ' LEU . 4.0 t30 -39.74 -30.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -63.27 -56.1 19.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.678 ' OE2' HG13 ' A' ' 50' ' ' VAL . 10.7 pt-20 -83.73 0.99 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.58 -169.37 12.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.532 HG23 HG23 ' A' ' 78' ' ' VAL . 8.5 tp -91.86 154.21 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -51.92 99.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.532 HG23 HG23 ' A' ' 76' ' ' ILE . 83.2 t -134.24 144.19 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.662 HD11 ' O ' ' A' ' 14' ' ' GLU . 10.5 pt -113.38 51.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.479 ' ND1' ' CD2' ' A' ' 88' ' ' LEU . 64.3 m170 -88.96 167.58 13.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.559 ' OD1' HD11 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -115.21 170.07 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.764 ' OG ' HD11 ' A' ' 64' ' ' ILE . 4.5 m -63.98 -32.38 73.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.939 HG21 ' HD2' ' A' ' 9' ' ' LYS . 7.1 mt -68.85 -38.1 78.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.552 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -79.48 -33.48 42.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.529 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -58.36 -35.52 72.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.24 92.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CZ ' ' HA3' ' A' ' 5' ' ' GLY . 1.5 t80 -70.79 -50.1 39.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.845 ' HG ' HD12 ' A' ' 25' ' ' ILE . 2.4 mp -60.71 -44.27 96.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.529 ' CG1' ' O ' ' A' ' 85' ' ' LEU . 4.3 mm -65.84 -46.08 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.485 ' NH1' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -42.86 -35.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 92' ' ' LYS . 0.4 OUTLIER -72.19 -36.93 69.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.776 ' HD2' HD23 ' A' ' 40' ' ' LEU . 2.3 mmtt -88.95 -6.41 57.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -171.68 79.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 90' ' ' ARG . 83.7 p -73.1 -2.59 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -85.67 -75.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.615 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.88 116.43 31.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.604 1.19 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.571 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -119.4 172.32 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.601 1.188 . . . . 0.0 109.271 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.571 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.5 p -86.42 149.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -152.83 166.44 32.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.461 ' NE ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -173.32 157.38 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 0.0 110.299 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.7 p -125.38 150.45 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 102' ' ' VAL . 9.9 p -87.71 88.68 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.2 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.66 176.37 8.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.412 ' OD1' HD21 ' A' ' 53' ' ' LEU . 11.1 t70 -96.12 162.82 13.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -178.31 135.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 16.2 mt-10 -105.9 151.87 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.914 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -141.05 143.19 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.462 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -160.17 166.03 35.03 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 1.119 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -147.5 169.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.584 0.814 . . . . 0.0 109.334 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.477 ' N ' HG13 ' A' ' 110' ' ' VAL . 4.2 p -115.51 -24.61 8.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.746 HH21 ' HE2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -155.25 -45.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 158.03 -23.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.84 -71.88 1.24 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.697 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -77.85 141.46 39.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 0.803 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 1.119 HG22 HG23 ' A' ' 110' ' ' VAL . 1.8 pp -128.84 161.7 37.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.462 HD11 ' HA3' ' A' ' 109' ' ' GLY . 2.7 pp -132.76 140.94 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -137.76 152.81 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.246 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.511 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 6.5 t0 -175.42 121.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.736 ' H ' HD23 ' A' ' 120' ' ' LEU . 2.2 pt? -97.42 39.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.37 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 120' ' ' LEU . 11.4 t-20 61.35 141.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.002 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.532 0.206 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -169.23 36.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -124.67 162.21 24.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.33 117.83 24.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 0.0 110.265 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.605 ' CA ' ' CE2' ' A' ' 87' ' ' PHE . . . 86.24 130.12 2.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.694 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 42.83 80.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 m -139.13 -51.88 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 0.0 109.963 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -139.8 49.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -81.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -163.74 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.45 HG22 ' CB ' ' A' ' 14' ' ' GLU . 9.1 mt -82.78 11.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.16 -32.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -57.8 11.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' CB ' HG22 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -60.12 -24.04 64.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.773 ' O ' HG22 ' A' ' 18' ' ' THR . 4.6 mp -74.23 -56.8 4.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -52.48 -29.11 23.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 10.3 m -81.87 -27.47 33.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.773 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.4 t -73.06 -174.4 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER 85.35 120.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.48 62.47 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.62 24.96 6.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.788 HG13 ' N ' ' A' ' 23' ' ' SER . 4.1 p -94.79 -143.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.788 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -41.68 -58.42 1.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.026 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 27' ' ' ARG . . . 37.08 56.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.604 HD12 ' HG ' ' A' ' 88' ' ' LEU . 23.2 mt -65.02 -28.95 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.694 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -71.48 -40.56 70.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.627 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -69.72 -44.57 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.542 ' HB3' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -64.12 -61.84 2.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.415 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . . . -44.75 -52.71 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.2 ttt -64.73 -24.11 67.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' LYS . 2.6 mt-10 -78.24 47.04 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.158 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m120 44.82 35.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -51.05 120.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.31 35.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -138.72 13.47 2.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m 60.48 69.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.946 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 2.2 tpm_? -43.06 -42.66 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 2.2 t30 82.59 10.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.08 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 m -74.55 -83.84 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 92' ' ' LYS . 2.5 pt? -45.59 -29.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.88 -57.12 9.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -52.5 -32.7 41.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.604 1.19 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -82.41 -23.36 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -69.07 -43.1 75.28 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 28.4 t -49.75 -42.21 45.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -38.11 -54.71 1.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 mttt 65.62 60.63 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.3 p -94.89 135.71 23.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.454 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.5 Cg_endo -75.04 151.08 38.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.454 HG23 ' C ' ' A' ' 49' ' ' PRO . 58.9 t -153.57 145.95 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 -143.78 134.42 24.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.577 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -154.02 149.7 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.704 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.5 OUTLIER -99.83 144.27 29.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.544 ' CB ' HD11 ' A' ' 108' ' ' ILE . 17.1 t -108.86 127.86 54.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 108.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.704 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -112.42 -173.77 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -52.51 128.2 25.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.239 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.79 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -50.26 -29.94 16.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.45 1.094 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.73 -21.04 60.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -113.17 6.94 17.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.448 HD11 ' HG3' ' A' ' 100' ' ' ARG . 7.4 tp -50.39 -41.79 52.52 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.57 1.169 . . . . 0.0 109.228 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.868 ' HA ' HD12 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -55.15 -49.99 70.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.441 1.088 . . . . 0.0 109.235 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.66 -37.62 65.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.565 HG23 ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -61.0 -25.3 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' A' ' 61' ' ' ASP . 8.5 mt -63.62 -50.4 78.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.595 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.2 ptpt -64.71 -33.46 76.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 4.5 mmt85 -73.83 -34.34 64.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.266 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.577 HD23 ' CG2' ' A' ' 52' ' ' ILE . 23.9 mt -66.79 -50.5 62.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.611 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -46.92 -45.97 20.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.64 -23.47 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.503 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.1 mm-40 -92.65 -40.3 10.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 74' ' ' GLU . 11.5 m -89.18 -64.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 68' ' ' LEU . 13.5 t30 -38.8 -34.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -53.64 55.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' SER . 4.9 pt-20 -90.74 5.46 48.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 1.186 . . . . 0.0 110.354 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.33 -172.44 13.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.589 1.18 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.8 tp -91.87 161.01 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.39 98.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.588 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.581 HG13 ' CD2' ' A' ' 80' ' ' HIS . 2.3 t -135.37 136.77 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.538 HD11 ' HB ' ' A' ' 18' ' ' THR . 5.2 pt -121.34 45.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.581 ' CD2' HG13 ' A' ' 78' ' ' VAL . 77.6 m-70 -88.38 166.25 14.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.618 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.656 ' OD1' HD11 ' A' ' 15' ' ' LEU . 12.4 m-20 -104.58 168.37 9.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 109.334 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p -63.19 -29.6 70.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.066 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.447 HD11 HD23 ' A' ' 60' ' ' LEU . 11.4 mt -72.74 -40.65 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.633 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -71.52 -34.85 70.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.348 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.589 HD13 ' O ' ' A' ' 81' ' ' ASP . 4.0 mp -60.17 -40.63 90.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.31 -44.0 92.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.605 ' CE2' ' CA ' ' A' ' 5' ' ' GLY . 1.3 t80 -71.35 -49.7 39.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.633 HD13 HG23 ' A' ' 84' ' ' THR . 6.5 mp -59.48 -49.82 76.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' A' ' 93' ' ' ALA . 73.8 mt -62.5 -51.45 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.178 . . . . 0.0 109.387 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.508 ' HG3' HG21 ' A' ' 97' ' ' ILE . 6.7 mtm180 -37.65 -34.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' HB3' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -68.81 -48.14 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.275 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.638 ' HB3' HD12 ' A' ' 40' ' ' LEU . 1.2 ptmt -91.11 1.08 57.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.627 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -160.57 73.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.0 p -79.58 3.29 19.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -91.66 -88.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.135 . . . . 0.0 109.575 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 114' ' ' GLY . 6.8 mtp180 -98.85 110.54 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.524 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -117.84 172.09 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.524 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.6 p -95.4 129.53 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -88.37 -174.84 4.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.637 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.448 ' HG3' HD11 ' A' ' 60' ' ' LEU . 7.3 tmm_? -152.4 100.68 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.4 p -105.71 149.63 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.79 HG23 ' N ' ' A' ' 57' ' ' GLY . 14.7 p -125.11 87.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.98 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 t -135.39 176.63 8.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.952 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.64 ' O ' HD23 ' A' ' 120' ' ' LEU . 1.9 t0 -98.6 138.58 35.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.801 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -153.86 137.66 16.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 48.9 mt-10 -104.78 146.14 29.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -140.47 140.2 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.45 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -157.04 167.0 33.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 1.08 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -147.26 168.16 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.507 ' N ' HG13 ' A' ' 110' ' ' VAL . 54.8 p -116.77 -26.72 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.447 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.41 -49.47 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.234 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 157.25 -22.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.51 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -76.07 -72.55 1.07 Allowed Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.746 ' O ' HG22 ' A' ' 110' ' ' VAL . 19.4 tp10 -78.81 154.8 29.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 0.73 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 1.08 HG22 HG23 ' A' ' 110' ' ' VAL . 2.2 pp -136.85 162.04 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.45 HD11 ' HA3' ' A' ' 109' ' ' GLY . 2.6 pp -132.5 140.3 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.592 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.83 153.69 30.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -172.85 124.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.801 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.6 mp -84.21 50.22 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 3.9 t-20 61.21 141.56 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.956 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.562 0.22 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 179.5 -74.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.04 162.32 13.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -98.66 78.65 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.528 ' HA3' ' CD1' ' A' ' 87' ' ' PHE . . . 42.42 -126.6 4.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.609 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -36.02 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 t 55.93 -84.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.068 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' TRP . 0.5 OUTLIER -160.76 69.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 tptt -83.58 -80.35 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -139.8 -76.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.4 mt -77.66 1.53 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.39 -35.27 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -56.43 21.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.328 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.924 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -56.18 -30.67 62.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.264 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.554 HD11 ' OD1' ' A' ' 81' ' ' ASP . 11.1 mp -71.63 -48.39 48.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -34.01 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.0 m -74.84 -28.73 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.14 134.46 36.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.521 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 2.6 ptt180 173.72 60.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -69.23 60.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.756 ' O ' HG23 ' A' ' 22' ' ' VAL . 11.9 t30 44.46 28.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 21' ' ' ASN . 1.9 t -165.12 124.23 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER 83.53 2.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.521 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . -76.55 59.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.669 HD12 ' HG ' ' A' ' 88' ' ' LEU . 6.1 mt -65.52 -27.15 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.609 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 59.5 mt-10 -71.56 -48.51 48.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -67.61 -51.34 51.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.931 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -52.66 -51.67 59.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.44 -51.46 69.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -14.8 40.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.71 45.69 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 46.01 34.53 2.04 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.931 HD12 ' C ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -58.11 167.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 109.233 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' HG23 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -124.03 -61.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.221 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.59 46.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.3 t -122.75 -71.02 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 56.3 mtm-85 62.46 -80.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER 83.02 -4.69 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.7 m -76.9 -87.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.833 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -44.91 -28.1 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.833 ' N ' HD22 ' A' ' 40' ' ' LEU . 10.5 t70 -67.94 -56.43 9.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -52.78 -31.42 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -83.11 -26.63 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -65.18 -44.38 88.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 109.218 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.4 t -47.1 -45.63 22.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 46' ' ' LEU . 1.4 mt -39.05 -55.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.36 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 61.03 54.13 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -91.21 150.87 42.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.057 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.453 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.3 Cg_endo -75.01 147.69 34.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 49' ' ' PRO . 60.2 t -153.67 160.76 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 50' ' ' VAL . 7.6 ttt180 -160.72 134.07 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.569 ' HB ' HD22 ' A' ' 67' ' ' LEU . 1.1 pt -154.0 148.05 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.651 HD21 ' OD1' ' A' ' 105' ' ' ASP . 2.0 tp -100.15 148.17 24.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.462 ' HB3' HD11 ' A' ' 108' ' ' ILE . 2.4 t -107.79 130.21 54.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 108.265 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG3' ' CG1' ' A' ' 63' ' ' ILE . 3.8 mmm180 -113.87 -173.19 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' HG3' ' HB ' ' A' ' 59' ' ' THR . 4.9 ptt180 -52.1 128.41 24.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.669 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -53.78 -26.31 32.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.06 -29.97 70.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 0.731 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.419 ' HB ' ' HG3' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -105.54 7.57 32.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.541 HD12 HG21 ' A' ' 63' ' ' ILE . 11.5 tp -49.33 -41.18 37.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.847 ' HA ' HD12 ' A' ' 64' ' ' ILE . 6.9 p-10 -55.17 -49.48 71.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.39 -38.79 63.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.224 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.541 HG21 HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -59.35 -26.02 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.847 HD12 ' HA ' ' A' ' 61' ' ' ASP . 9.1 mt -63.48 -49.28 83.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.848 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -66.08 -33.63 76.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.469 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -73.43 -34.95 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.376 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.569 HD22 ' HB ' ' A' ' 52' ' ' ILE . 8.9 mt -68.89 -49.01 61.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.848 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -47.58 -44.49 26.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.22 -24.6 28.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.412 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.3 mm-40 -93.86 -41.16 9.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' GLU . 69.9 m -86.08 -67.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.042 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.3 t30 -39.82 -30.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.54 -53.64 55.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.9 pp20? -91.45 6.9 43.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.4 -169.61 12.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 76' ' ' ILE . 6.4 tp -91.8 163.49 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.561 0.801 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.68 99.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.647 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 80' ' ' HIS . 2.7 t -134.93 138.99 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.924 HD11 ' O ' ' A' ' 14' ' ' GLU . 1.3 pt -114.64 48.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.629 1.206 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.745 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 3.8 m-70 -87.49 167.16 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.64 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.554 ' OD1' HD11 ' A' ' 15' ' ' LEU . 27.8 m-20 -110.91 172.09 7.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -66.61 -31.58 72.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.9 mt -71.12 -35.3 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.621 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -77.64 -33.71 53.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -59.22 -40.3 85.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.53 98.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.528 ' CD1' ' HA3' ' A' ' 5' ' ' GLY . 0.4 OUTLIER -71.41 -51.97 21.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.745 ' CD2' ' CD2' ' A' ' 80' ' ' HIS . 4.1 mp -57.86 -50.28 73.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.835 HD13 ' NH2' ' A' ' 96' ' ' ARG . 97.6 mt -62.47 -48.94 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.386 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.497 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 1.6 mtm-85 -39.3 -35.48 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.01 -43.71 52.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.59 ' CB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -85.46 -1.4 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.749 ' HB1' ' HG3' ' A' ' 96' ' ' ARG . . . -179.14 84.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.483 ' O ' HD11 ' A' ' 97' ' ' ILE . 19.3 t -69.33 -6.99 33.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -71.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.632 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.835 ' NH2' HD13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -78.72 104.57 9.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.497 ' CD1' ' HG2' ' A' ' 90' ' ' ARG . 3.7 mt -128.64 162.1 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.03 116.16 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -83.37 -174.06 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.567 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.42 109.58 1.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.247 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.7 p -107.2 149.45 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.669 HG23 ' N ' ' A' ' 57' ' ' GLY . 11.8 p -119.59 86.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -176.65 -42.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 t -135.89 176.71 8.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.651 ' OD1' HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -88.78 142.57 27.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.513 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 7.7 t80 -141.04 166.13 25.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.726 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -137.16 143.54 42.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.818 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -148.76 134.28 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.94 163.88 36.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.915 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -141.98 171.61 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.578 ' N ' HG13 ' A' ' 110' ' ' VAL . 49.4 p -117.66 -29.58 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.95 -47.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.6 OUTLIER 157.62 -21.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.87 -71.74 1.17 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.776 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.3 pt-20 -77.86 154.83 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.617 0.834 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.915 HG22 HG23 ' A' ' 110' ' ' VAL . 2.6 pp -139.08 159.5 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 18.0 pt -129.75 140.59 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.726 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -146.34 153.95 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 106' ' ' PHE . 1.8 t70 -161.22 176.08 11.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.72 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -113.0 1.63 15.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 120' ' ' LEU . 28.2 t-20 37.91 44.27 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.515 0.198 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.13 82.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -124.35 146.79 48.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.23 -167.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.38 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.581 ' HA2' ' CD2' ' A' ' 87' ' ' PHE . . . 106.61 86.14 1.85 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.091 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.661 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 42.57 69.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.59 -47.03 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.48 51.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.777 ' HD2' HG21 ' A' ' 83' ' ' ILE . 10.1 mmtp -71.56 -77.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.428 ' CE ' ' HB3' ' A' ' 61' ' ' ASP . 3.9 ttmm -151.23 -86.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.606 HG22 ' HB3' ' A' ' 14' ' ' GLU . 7.6 mt -76.66 6.27 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.81 -34.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 11' ' ' ILE . 1.9 mmm180 -58.3 -57.49 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.81 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -59.11 -25.8 64.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.967 ' O ' HG22 ' A' ' 18' ' ' THR . 7.9 mp -72.19 -54.72 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 tptm -53.02 -32.13 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -71.29 -27.43 63.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.967 HG22 ' O ' ' A' ' 15' ' ' LEU . 4.3 t -80.66 -150.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.776 ' N ' HG23 ' A' ' 18' ' ' THR . 0.8 OUTLIER 79.92 49.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -66.94 70.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.9 t30 51.58 31.72 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.598 HG11 ' CG2' ' A' ' 76' ' ' ILE . 2.2 t -156.28 122.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.243 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 3.4 p 83.49 15.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.014 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.709 ' HB1' ' HG2' ' A' ' 27' ' ' ARG . . . -77.81 63.75 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.675 HD12 ' HG ' ' A' ' 88' ' ' LEU . 52.4 mt -78.68 -14.08 13.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.661 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 4.0 pm0 -76.65 -44.39 34.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.324 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.709 ' HG2' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -79.14 -37.63 38.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -66.14 -52.98 43.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.422 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . . . -59.56 -51.25 70.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -24.77 63.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -74.44 47.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 42.19 34.8 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -50.94 -28.68 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.74 59.85 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 36' ' ' SER . 1.1 mttp -156.6 27.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.223 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 1.2 t 86.57 86.32 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.556 1.16 . . . . 0.0 110.043 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -135.85 -71.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 52.54 52.96 13.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.369 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.408 ' C ' ' N ' ' A' ' 41' ' ' ASP . 51.8 m -79.47 -86.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.457 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.409 HD13 HG12 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -45.37 -25.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 39' ' ' THR . 9.6 t70 -74.0 -55.01 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.399 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -47.4 -35.8 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.922 HG22 HD11 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -81.21 -37.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -49.59 -40.06 37.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 31.7 t -55.41 -18.14 6.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.922 HD11 HG22 ' A' ' 43' ' ' VAL . 8.5 mt -41.86 -34.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.774 ' HD2' HH21 ' A' ' 112' ' ' ARG . 9.8 ttpt 90.51 77.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 109.355 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.58 110.2 37.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.968 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.436 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -75.1 151.59 39.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.436 HG23 ' C ' ' A' ' 49' ' ' PRO . 57.7 t -153.14 161.14 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' N ' HG12 ' A' ' 50' ' ' VAL . 59.7 ttt180 -161.02 135.31 7.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.573 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -154.95 148.59 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.789 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -98.51 147.08 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.71 ' HB2' HD11 ' A' ' 108' ' ' ILE . 8.3 t -107.52 135.0 49.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.313 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.789 ' HG2' HD21 ' A' ' 53' ' ' LEU . 3.6 mmm180 -117.87 -174.47 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' CG ' ' HB ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -53.7 127.32 25.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.746 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -49.51 -31.24 14.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.85 -23.77 61.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -111.55 8.04 20.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.475 HD12 HG21 ' A' ' 63' ' ' ILE . 10.2 tp -49.53 -41.21 40.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.746 ' HA ' HD12 ' A' ' 64' ' ' ILE . 8.2 p-10 -56.21 -50.24 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -41.19 65.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.373 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.475 HG21 HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -55.44 -31.24 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 61' ' ' ASP . 10.3 mt -61.29 -47.51 93.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -61.1 -37.07 81.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.0 65.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.239 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.573 HD23 ' CG2' ' A' ' 52' ' ' ILE . 27.6 mt -63.44 -51.61 64.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -47.66 -47.02 29.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.542 ' N ' HD12 ' A' ' 68' ' ' LEU . 3.4 mm-40 -60.28 -22.1 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.486 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 2.6 mm-40 -93.32 -40.99 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 74' ' ' GLU . 12.7 m -88.9 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 68' ' ' LEU . 6.6 t-20 -39.51 -33.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.67 -51.17 68.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.5 pm0 -98.47 8.84 44.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.16 -169.79 12.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.598 ' CG2' HG11 ' A' ' 22' ' ' VAL . 7.2 mm -91.75 162.64 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 109.354 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.473 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -53.18 96.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.613 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.72 143.92 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.81 HD11 ' O ' ' A' ' 14' ' ' GLU . 4.9 pt -125.79 52.96 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 9.2 m-70 -86.92 167.42 14.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.612 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.793 ' O ' HD13 ' A' ' 85' ' ' LEU . 66.2 m-20 -107.45 163.7 12.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.9 t -59.27 -31.94 69.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.083 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.777 HG21 ' HD2' ' A' ' 9' ' ' LYS . 8.5 mt -70.83 -36.96 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.7 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -78.88 -29.94 44.7 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 81' ' ' ASP . 6.1 mp -61.88 -41.58 98.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.421 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -63.44 -43.31 97.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CD2' ' HA2' ' A' ' 5' ' ' GLY . 2.0 t80 -71.38 -50.61 30.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.167 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.7 HD13 HG23 ' A' ' 84' ' ' THR . 6.3 mp -58.85 -49.13 78.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 92' ' ' LYS . 79.4 mt -62.59 -49.55 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 94' ' ' SER . 7.1 mtp180 -38.95 -35.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -44.26 70.91 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.57 1.169 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -87.87 -0.39 56.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.302 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -175.65 80.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.38 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 90' ' ' ARG . 32.3 p -79.96 3.51 19.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.059 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -89.17 -81.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.545 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.519 ' HB3' HG21 ' A' ' 116' ' ' ILE . 1.2 mtp85 -99.17 104.63 16.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -115.46 171.52 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 109.29 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.632 HG23 HG12 ' A' ' 108' ' ' ILE . 2.1 p -95.38 147.47 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.34 -168.87 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.618 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 5.0 ppt_? -154.35 106.98 2.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 p -107.25 149.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.746 HG23 ' N ' ' A' ' 57' ' ' GLY . 14.5 p -128.93 85.53 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.21 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.82 176.51 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.929 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.84 134.53 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 119' ' ' ASP . 0.2 OUTLIER -137.44 174.16 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 111.057 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.513 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 37.0 mt-10 -154.92 144.84 21.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.71 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -141.06 144.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.76 166.21 33.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.078 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -151.97 170.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.507 0.769 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.511 ' N ' HG13 ' A' ' 110' ' ' VAL . 3.3 p -115.5 -27.28 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.774 HH21 ' HD2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -153.16 -44.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.523 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 159.04 -22.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.93 -75.52 0.95 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.687 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -81.71 141.67 33.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 110.282 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.625 HG22 HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -133.75 170.84 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.8 pp -131.77 141.41 45.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 14.6 p -130.2 156.72 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 106' ' ' PHE . 2.6 t0 -162.46 162.09 27.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.226 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.719 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -105.18 8.68 34.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 120' ' ' LEU . 26.2 t-20 39.3 43.77 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.977 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.514 0.197 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -134.54 154.22 51.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -110.51 145.7 37.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 151.65 2.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.624 ' CA ' ' CE2' ' A' ' 87' ' ' PHE . . . 102.67 116.24 4.14 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.662 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 41.14 39.42 0.9 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.11 76.3 9.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.155 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 38.66 60.89 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HG2' HG21 ' A' ' 83' ' ' ILE . 4.1 tptt -74.44 -77.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -133.4 -92.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 12' ' ' ALA . 8.7 mt -76.0 3.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.73 -34.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -57.45 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.663 ' O ' HD11 ' A' ' 79' ' ' ILE . 3.0 tt0 -61.99 -22.82 65.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.185 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.98 HD11 ' OD2' ' A' ' 81' ' ' ASP . 10.4 mp -76.7 -40.69 47.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -65.55 -32.72 74.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -70.73 -28.49 64.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.414 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 15' ' ' LEU . 3.0 t -82.65 -150.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.344 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.797 ' N ' HG23 ' A' ' 18' ' ' THR . 2.5 ptt180 92.34 -24.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.608 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.4 tp60 35.01 46.68 0.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.7 m-20 36.28 32.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 20' ' ' GLN . 3.0 t -116.22 0.88 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.7 t -148.97 -88.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.061 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 47.02 60.31 3.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.707 HD12 ' HG ' ' A' ' 88' ' ' LEU . 96.3 mt -65.67 -21.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.662 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -73.99 -39.86 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.178 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -54.6 11.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 4.5 mmtm -56.77 -55.65 31.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -47.46 -63.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -17.24 10.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 111.043 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.35 45.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 45.88 35.74 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -56.13 161.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.72 -59.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.296 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tttt 172.26 77.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' ARG . 50.0 m -145.5 -65.5 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.96 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -38.74 -66.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 5.2 t30 83.28 29.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.6 m -75.75 -75.32 0.18 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.607 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -55.01 -17.3 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.491 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 8.5 t70 -76.56 -57.91 3.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -51.88 -36.82 49.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.66 -30.73 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -50.71 -48.93 58.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -41.67 -30.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 46' ' ' LEU . 9.2 mt -87.82 40.64 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -55.53 -54.16 47.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER 51.83 173.33 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 110.048 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.2 Cg_endo -75.02 117.68 4.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.44 146.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -160.5 135.45 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -142.95 147.64 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' O ' HD21 ' A' ' 67' ' ' LEU . 5.6 tt -94.59 147.36 23.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.765 ' HB2' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -113.04 128.61 56.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 1.083 . . . . 0.0 108.287 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HB2' ' CG1' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -117.57 -173.88 2.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.5 128.88 27.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.882 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -49.81 -25.38 7.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.095 . . . . 0.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.91 -26.35 65.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 0.811 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -106.28 7.95 31.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 tp -51.95 -42.79 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.812 ' HA ' HD12 ' A' ' 64' ' ' ILE . 2.9 p30 -54.5 -47.72 72.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -73.64 -40.78 63.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.594 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -60.15 -26.58 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 61' ' ' ASP . 7.1 mt -62.35 -51.73 68.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -61.31 -34.37 75.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.513 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 5.9 mmt180 -72.79 -34.34 66.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.232 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.594 ' CD2' HD12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -60.75 -50.8 72.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -46.61 -50.86 16.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.5 mm-40 -50.27 -24.41 2.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.6 mm-40 -94.28 -42.23 9.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -88.02 -65.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.026 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' A' ' 68' ' ' LEU . 1.8 t30 -39.49 -30.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.201 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -61.26 -55.18 34.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.7 pp20? -92.18 4.01 54.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -123.08 -173.07 13.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 9.0 tp -91.92 157.95 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.92 98.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.626 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.663 HG13 ' CD2' ' A' ' 80' ' ' HIS . 2.1 t -135.17 140.94 44.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.663 HD11 ' O ' ' A' ' 14' ' ' GLU . 23.6 pt -115.69 50.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.69 ' HB2' HD11 ' A' ' 85' ' ' LEU . 52.2 m170 -87.05 161.26 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.597 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.98 ' OD2' HD11 ' A' ' 15' ' ' LEU . 3.5 m-20 -111.89 162.52 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -33.1 68.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' A' ' 9' ' ' LYS . 39.6 mt -68.3 -40.65 82.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.738 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -77.94 -34.16 51.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 80' ' ' HIS . 5.2 mp -59.77 -41.37 90.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.56 80.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.624 ' CE2' ' CA ' ' A' ' 5' ' ' GLY . 2.1 t80 -71.24 -50.69 30.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.738 HD22 ' CG2' ' A' ' 84' ' ' THR . 6.3 mp -56.66 -37.41 70.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 93' ' ' ALA . 6.6 mm -73.46 -50.36 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.478 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 3.8 mtt85 -39.32 -35.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 1.8 mm-40 -69.03 -45.13 71.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.366 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.21 0.88 56.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.61 ' HB1' ' OD1' ' A' ' 113' ' ' ASP . . . -175.18 81.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.6 p -79.53 3.89 17.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -90.27 -86.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.666 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.657 ' HB3' HG21 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -93.19 104.15 16.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 110.265 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 98' ' ' VAL . 1.4 mp -111.87 171.17 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.543 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.9 p -100.7 149.26 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -124.13 -171.81 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.603 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.409 ' NE ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -148.12 135.75 20.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.2 p -117.62 149.55 19.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.882 HG13 ' N ' ' A' ' 57' ' ' GLY . 1.5 t -124.01 65.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.76 -43.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.163 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.7 t -132.85 176.35 8.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.52 135.17 33.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -131.67 170.36 14.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 45.8 mt-10 -152.17 142.61 22.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.765 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -142.39 141.04 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -155.3 162.6 31.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.876 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.6 OUTLIER -153.29 160.76 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.402 ' N ' HG13 ' A' ' 110' ' ' VAL . 78.9 p -113.79 -24.15 9.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.507 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -145.77 -52.01 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.61 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 2.0 t0 155.55 -23.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.357 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.9 -66.97 1.65 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.583 1.177 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.55 122.67 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.271 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.876 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.8 OUTLIER -116.76 169.12 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.763 ' N ' HD12 ' A' ' 116' ' ' ILE . 2.7 pp -132.16 141.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -131.19 153.87 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.73 166.85 26.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.712 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -112.93 3.55 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 120' ' ' LEU . 6.9 t-20 60.86 141.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.061 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.506 0.193 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.42 -169.88 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.55 143.68 43.31 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.651 HH21 ' NH2' ' A' ' 90' ' ' ARG . 28.4 ptt-85 175.67 155.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.596 ' HA2' ' CE2' ' A' ' 87' ' ' PHE . . . -171.57 -170.6 35.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.423 1.077 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.71 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -92.91 55.7 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.0 m -142.21 22.12 2.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.09 35.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.581 ' CD ' HG21 ' A' ' 83' ' ' ILE . 9.3 mmpt? -97.98 -89.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.95 -79.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mt -76.79 1.41 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.26 -35.28 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 -54.93 -57.36 11.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 17' ' ' THR . 3.7 tt0 -57.89 -39.57 78.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.771 ' CD2' HG21 ' A' ' 84' ' ' THR . 0.2 OUTLIER -62.05 -41.42 98.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -58.89 -43.01 90.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -65.23 -27.77 68.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -93.65 125.76 38.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.525 HH21 HD11 ' A' ' 88' ' ' LEU . 4.4 mtt180 159.09 50.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -69.4 58.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 75.8 m-20 57.07 28.06 14.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.629 ' O ' HG12 ' A' ' 22' ' ' VAL . 39.2 t -98.68 9.83 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER 171.65 -64.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.987 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 39.54 57.56 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.838 HD12 ' HG ' ' A' ' 88' ' ' LEU . 94.7 mt -75.83 -27.52 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.71 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 1.9 pp20? -65.78 -46.59 78.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.429 ' CG ' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -71.93 -52.3 17.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.711 ' HZ3' ' H ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -55.12 -44.06 74.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -59.95 -60.7 3.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -10.83 9.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.73 46.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 51.21 30.39 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.5 HD12 ' HG2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -52.92 159.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -173.51 -46.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 110.349 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER 166.49 76.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.0 m -135.88 -77.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.984 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.537 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -49.01 -79.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 110.259 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 2.5 m120 84.63 45.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.711 ' H ' ' HZ3' ' A' ' 28' ' ' LYS . 89.2 m -75.64 -81.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.864 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -46.19 -28.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.864 ' N ' HD22 ' A' ' 40' ' ' LEU . 7.5 t70 -66.86 -56.49 10.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -50.57 -34.71 26.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 111.052 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.44 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -83.04 -22.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -65.87 -41.59 91.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 46.6 t -45.73 -44.95 14.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -37.54 -49.3 1.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.4 mttt 67.55 64.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.67 137.35 32.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 138.84 23.61 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.58 149.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.69 131.74 18.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 110.341 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.818 HG22 HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -153.85 148.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.8 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -98.91 148.46 23.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.453 ' CB ' HD11 ' A' ' 108' ' ' ILE . 2.6 t -111.51 124.58 52.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 108.247 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.8 ' HG2' HD21 ' A' ' 53' ' ' LEU . 2.0 mmm180 -112.63 -172.79 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.7 128.44 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.554 ' HA2' ' HB2' ' A' ' 60' ' ' LEU . . . -48.89 -33.94 14.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.57 -35.02 73.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -98.41 7.68 45.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.396 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.554 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 7.9 tp -56.18 -42.42 77.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.845 ' HA ' HD12 ' A' ' 64' ' ' ILE . 4.7 p-10 -53.77 -48.27 69.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.2 -39.98 62.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -61.87 -24.29 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.845 HD12 ' HA ' ' A' ' 61' ' ' ASP . 8.7 mt -64.38 -49.32 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.189 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 1.012 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -65.72 -34.64 78.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.364 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 2.7 mmt180 -72.86 -35.19 67.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.818 HD22 HG22 ' A' ' 52' ' ' ILE . 1.1 mt -72.29 -44.39 62.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.012 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.22 -46.12 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.6 mt-10 -55.06 -23.66 21.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.1 mm-40 -93.29 -40.82 10.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 73' ' ' LYS . 54.7 m -89.46 -66.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.967 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -39.73 -29.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -56.88 -53.44 57.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.2 pp20? -86.01 3.86 40.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.61 -172.78 14.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -90.89 163.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.806 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.487 ' N ' HD13 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -53.76 97.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.585 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.616 HG11 ' ND1' ' A' ' 80' ' ' HIS . 47.4 t -136.63 145.75 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.533 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -110.83 49.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.616 ' ND1' HG11 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -85.72 153.53 22.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.524 ' HA ' HG23 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -112.92 167.18 10.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.416 1.072 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 56.7 m -53.81 -25.81 21.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.029 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.581 HG21 ' CD ' ' A' ' 9' ' ' LYS . 10.8 mt -73.71 -45.1 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.772 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -78.48 -32.29 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.362 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.592 HD11 ' CD2' ' A' ' 80' ' ' HIS . 1.7 mp -57.72 -44.82 86.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.28 86.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.596 ' CE2' ' HA2' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -72.51 -50.27 27.05 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.558 1.161 . . . . 0.0 110.963 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.838 ' HG ' HD12 ' A' ' 25' ' ' ILE . 6.7 mp -64.66 -37.16 86.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 85' ' ' LEU . 51.9 mt -71.77 -49.46 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.651 ' NH2' HH21 ' A' ' 4' ' ' ARG . 5.8 mtt180 -39.36 -39.96 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 2.6 mm-40 -63.93 -43.68 95.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ILE . 2.3 ptmt -88.59 -0.99 57.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.618 ' HB2' ' CG ' ' A' ' 113' ' ' ASP . . . -169.2 79.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' ARG . 11.5 p -76.67 -0.45 23.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -84.77 -94.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -95.18 114.02 25.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.255 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.549 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -119.33 172.6 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.549 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.4 p -97.37 131.2 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.418 ' CG ' ' H ' ' A' ' 100' ' ' ARG . 4.2 t-160 -102.6 -176.57 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.622 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -148.01 110.75 4.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.3 p -106.52 150.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 102' ' ' VAL . 7.7 p -121.09 87.21 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.25 -42.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.5 p -135.57 176.33 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.731 ' O ' HD23 ' A' ' 120' ' ' LEU . 42.3 t0 -95.48 134.04 38.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.234 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.63 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -145.28 134.98 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.621 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 43.8 mt-10 -106.69 144.62 33.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.48 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -136.59 137.42 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -150.89 150.33 22.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.744 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.8 OUTLIER -141.21 158.24 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.1 p -116.04 -21.32 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.349 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -142.41 -54.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.618 ' CG ' ' HB2' ' A' ' 93' ' ' ALA . 6.1 m-20 154.02 -23.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.18 -68.87 1.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -86.88 135.32 33.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 0.794 . . . . 0.0 110.299 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.913 HD12 ' N ' ' A' ' 117' ' ' ILE . 0.6 OUTLIER -124.33 172.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.913 ' N ' HD12 ' A' ' 116' ' ' ILE . 1.5 pt -133.12 140.34 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.654 HG13 HD11 ' A' ' 116' ' ' ILE . 17.9 m -124.16 153.4 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -168.65 113.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.731 HD23 ' O ' ' A' ' 105' ' ' ASP . 1.8 mp -82.84 50.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' LEU . 51.4 t-20 39.65 43.66 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 mtt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.509 0.195 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.4 ' O ' ' OE2' ' A' ' 3' ' ' GLU . 28.1 ptt180 -97.6 172.82 7.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.542 ' HG2' ' CH2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -123.51 160.84 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.446 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.6 OUTLIER 176.22 70.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.573 ' HA3' ' CD1' ' A' ' 87' ' ' PHE . . . -151.09 -60.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.66 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -96.25 44.07 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.36 67.28 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.545 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 0.3 OUTLIER 50.77 56.32 8.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.22 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -73.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -136.02 -85.56 0.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.68 HG22 ' HB2' ' A' ' 14' ' ' GLU . 8.6 mt -84.33 13.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.545 ' HB3' ' HA ' ' A' ' 8' ' ' GLN . . . -45.04 -32.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -57.21 -58.33 8.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.924 ' O ' HD11 ' A' ' 79' ' ' ILE . 3.0 mt-10 -59.91 -28.55 67.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.626 HD23 HG21 ' A' ' 84' ' ' THR . 7.2 mp -69.82 -47.09 64.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -57.57 -37.24 72.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 m -67.69 -28.83 68.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -88.94 127.09 35.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.364 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.794 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 6.4 ttp-105 176.38 37.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.45 71.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' ARG . 51.4 m-80 53.48 32.81 14.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.793 HG13 ' N ' ' A' ' 23' ' ' SER . 2.6 p -94.77 -147.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.793 ' N ' HG13 ' A' ' 22' ' ' VAL . 3.6 m -43.1 -55.45 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.794 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . . . 38.27 44.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 88' ' ' LEU . 98.0 mt -71.45 -20.25 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.66 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 11.0 pt-20 -73.15 -52.38 14.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -65.67 -45.7 81.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.63 ' HB3' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.81 -60.39 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -44.74 -57.31 3.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -21.64 64.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 28' ' ' LYS . 2.5 mm-40 -80.7 46.56 0.88 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 45.16 34.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.63 HD12 ' HB3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -51.85 154.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -169.33 -61.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.372 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -176.06 80.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 m -151.17 -79.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.032 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -39.92 -57.59 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 67.28 46.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 41' ' ' ASP . 18.7 m -74.5 -84.07 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.83 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -46.73 -26.78 1.01 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.587 1.179 . . . . 0.0 109.268 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.83 ' N ' HD22 ' A' ' 40' ' ' LEU . 8.9 t70 -68.26 -56.26 9.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -52.11 -36.92 52.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -80.21 -24.45 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -36.62 82.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' LEU . 48.4 t -52.56 -43.37 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -38.28 -56.19 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER 66.37 61.61 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 m -103.65 141.25 22.11 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.495 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -75.03 160.07 40.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.495 HG23 ' C ' ' A' ' 49' ' ' PRO . 70.1 t -156.09 160.0 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.206 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.401 ' N ' HG12 ' A' ' 50' ' ' VAL . 10.5 ttt180 -155.62 130.3 9.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.833 ' HB ' HD22 ' A' ' 67' ' ' LEU . 4.9 pt -148.23 148.3 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.69 ' O ' HD21 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -102.57 142.74 33.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.56 ' CB ' HD11 ' A' ' 108' ' ' ILE . 41.1 t -109.63 134.42 51.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.241 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.46 ' CG ' HD21 ' A' ' 53' ' ' LEU . 5.3 mtm180 -118.32 -172.95 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -51.47 127.62 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.805 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -48.37 -29.93 7.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.12 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.31 -27.92 66.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 0.813 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -107.71 8.67 29.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.495 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 11.2 tp -50.4 -41.27 51.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.767 ' HA ' HD12 ' A' ' 64' ' ' ILE . 5.4 p-10 -56.96 -49.68 74.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -72.53 -40.55 66.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.251 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.1 -33.16 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' ' 61' ' ' ASP . 10.2 mt -59.75 -45.42 94.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -62.62 -37.81 87.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -35.35 66.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.833 HD22 ' HB ' ' A' ' 52' ' ' ILE . 11.3 mt -63.57 -51.33 65.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -47.71 -45.87 29.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 2.3 mm-40 -57.71 -23.4 51.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.626 ' HB2' HG22 ' A' ' 52' ' ' ILE . 5.9 mm-40 -93.19 -41.24 10.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 74' ' ' GLU . 68.2 m -87.3 -65.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.951 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.5 t30 -39.19 -30.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -61.76 -53.82 50.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.6 pt-20 -95.22 7.72 45.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.81 -171.84 13.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.3 tp -91.53 163.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -54.09 98.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 109.67 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.643 ' CG2' HG21 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -134.73 137.96 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.302 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.924 HD11 ' O ' ' A' ' 14' ' ' GLU . 2.0 pt -116.08 48.57 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 28.5 m170 -86.99 167.1 14.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.546 ' H ' HD21 ' A' ' 15' ' ' LEU . 75.7 m-20 -108.84 173.18 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.466 ' OG ' HD12 ' A' ' 67' ' ' LEU . 15.3 m -69.29 -31.01 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.0 mt -74.67 -37.15 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.748 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -72.75 -39.01 67.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 81' ' ' ASP . 3.6 mp -59.68 -41.15 90.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.548 ' CB ' ' NH2' ' A' ' 100' ' ' ARG . . . -60.01 -46.92 87.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CD1' ' HA3' ' A' ' 5' ' ' GLY . 0.9 OUTLIER -72.89 -50.85 21.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.748 HD22 ' CG2' ' A' ' 84' ' ' THR . 6.0 mp -55.61 -52.32 64.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.83 HG22 ' CD1' ' A' ' 97' ' ' ILE . 48.0 mt -61.51 -50.03 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.541 ' CG ' HG13 ' A' ' 97' ' ' ILE . 1.6 mtt85 -37.72 -34.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -46.91 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.757 ' CB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.04 1.26 55.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.824 ' O ' HD11 ' A' ' 97' ' ' ILE . . . -169.61 79.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.8 p -83.4 15.13 3.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -96.88 -88.86 0.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 109.634 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HD3' HD12 ' A' ' 116' ' ' ILE . 2.1 mtp180 -100.35 104.56 16.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.83 ' CD1' HG22 ' A' ' 89' ' ' ILE . 38.0 mm -113.99 167.57 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.517 ' N ' HG22 ' A' ' 97' ' ' ILE . 2.2 p -87.9 148.18 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -111.61 179.31 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.572 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.548 ' NH2' ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER -141.02 101.67 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 p -102.09 145.07 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.805 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.5 p -122.8 85.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.03 -41.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.3 t -135.34 176.38 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.03 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -97.89 134.82 40.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.487 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -146.97 138.76 24.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.586 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 15.0 mt-10 -103.77 146.41 28.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.568 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -138.56 143.87 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -159.78 164.51 34.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.951 HG23 HG22 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -148.93 168.74 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.466 ' N ' HG13 ' A' ' 110' ' ' VAL . 3.2 p -114.2 -24.93 8.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -155.8 -44.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 110.34 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.493 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 157.72 -22.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.438 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -78.2 -75.0 0.99 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.655 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.3 mt-10 -78.46 141.72 38.05 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.532 0.784 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.951 HG22 HG23 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -128.41 164.1 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.437 HD11 ' HA3' ' A' ' 109' ' ' GLY . 2.7 pp -132.57 140.43 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.586 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.92 153.58 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -173.34 126.94 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.487 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.6 mp -81.85 51.07 1.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 9.3 t-20 61.32 141.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.901 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.534 ' H2 ' ' NH1' ' A' ' 4' ' ' ARG . 27.3 mtt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.431 0.158 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 -58.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -103.33 126.12 50.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.534 ' NH1' ' H2 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -179.6 42.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.569 ' HA2' ' CD1' ' A' ' 87' ' ' PHE . . . -109.16 -172.17 20.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.712 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -80.29 -77.9 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' TRP . 41.2 t 36.52 58.69 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 12' ' ' ALA . 1.3 tt0 39.95 72.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' H ' ' HB2' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -76.04 -80.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -133.2 -79.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.441 HG22 ' HB3' ' A' ' 14' ' ' GLU . 6.2 mt -85.27 13.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 8' ' ' GLN . . . -43.93 -35.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -58.22 8.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.978 ' O ' HD11 ' A' ' 79' ' ' ILE . 6.7 tt0 -60.65 -27.69 68.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.902 ' O ' HG22 ' A' ' 18' ' ' THR . 8.9 mp -68.79 -56.22 8.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -35.37 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.08 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -69.67 -27.15 64.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.902 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.6 t -78.06 177.24 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 2.6 ptt-85 85.29 120.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.6 tp60 -125.16 69.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 59.93 28.89 18.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.647 HG12 ' N ' ' A' ' 23' ' ' SER . 97.9 t -104.71 -108.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 0.0 109.19 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.647 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -52.95 -66.69 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.048 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 27' ' ' ARG . . . 39.24 56.5 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.708 HD12 ' CB ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -68.98 -32.7 55.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.712 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 12.9 pt-20 -66.02 -41.98 90.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.443 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -65.35 -58.9 4.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.668 ' HE2' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -57.07 -42.4 80.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -59.25 -65.84 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.411 ' C ' ' H ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -55.44 -16.05 3.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.04 47.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.411 ' H ' ' C ' ' A' ' 30' ' ' MET . 50.7 m-20 49.05 35.07 6.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.491 HG23 ' N ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -62.19 170.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.491 ' N ' HG23 ' A' ' 33' ' ' ILE . 2.8 tt0 -179.83 39.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.23 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 48.2 60.65 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.7 m -118.6 -40.15 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -80.85 -63.82 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 73.63 44.48 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.4 m -80.81 -77.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 110.376 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.961 HD13 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -50.82 -20.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.961 ' N ' HD13 ' A' ' 40' ' ' LEU . 25.2 t0 -79.52 -53.86 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -49.9 -39.18 38.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -80.72 -42.24 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.499 ' CE ' ' HE3' ' A' ' 92' ' ' LYS . 10.3 mmtm -49.45 -29.66 6.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.211 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.9 t -54.66 -22.29 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.958 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 46' ' ' LEU . 6.2 mt -83.51 5.97 22.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -47.59 -40.59 19.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 79.5 -176.7 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.61 1.194 . . . . 0.0 109.976 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.3 Cg_endo -74.95 125.24 9.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.549 HG22 ' CD ' ' A' ' 74' ' ' GLU . 40.2 t -133.49 162.06 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -156.4 134.76 11.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.525 ' HB ' ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -152.84 148.65 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.439 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -101.61 148.45 25.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.837 ' HB2' HD11 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -107.0 139.67 41.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.276 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HG2' HD21 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -120.33 -174.15 2.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -52.47 128.26 25.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.744 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -51.01 -24.78 8.95 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.469 ' H ' HG23 ' A' ' 102' ' ' VAL . 1.5 t70 -62.54 -30.09 71.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 0.71 . . . . 0.0 109.212 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -105.4 7.45 33.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.489 HD22 ' HD3' ' A' ' 100' ' ' ARG . 9.7 tp -49.21 -40.46 33.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.749 ' HA ' HD12 ' A' ' 64' ' ' ILE . 8.8 p-10 -58.08 -49.53 76.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.44 -40.17 64.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.49 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -56.94 -27.45 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 61' ' ' ASP . 10.3 mt -63.78 -49.91 80.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.545 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -63.11 -33.15 74.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.5 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -74.94 -34.75 62.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.525 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 25.6 mt -65.16 -50.28 66.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.624 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -47.01 -45.38 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.6 mt-10 -59.05 -23.26 61.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 mm-40 -92.62 -40.34 10.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' GLU . 13.2 m -89.84 -65.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.3 t30 -39.75 -33.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -52.01 -50.27 61.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.18 . . . . 0.0 109.329 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.549 ' CD ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -108.69 14.69 24.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.247 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.08 -168.91 12.73 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.485 HG23 HG23 ' A' ' 78' ' ' VAL . 10.5 tp -92.33 157.67 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.24 99.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.604 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 80' ' ' HIS . 3.1 t -134.67 136.02 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.978 HD11 ' O ' ' A' ' 14' ' ' GLU . 1.4 pt -109.24 46.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.651 ' HB2' HD11 ' A' ' 85' ' ' LEU . 63.6 m170 -86.96 163.84 16.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.626 ' O ' HD13 ' A' ' 85' ' ' LEU . 86.2 m-20 -105.06 166.6 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.4 t -64.9 -29.63 70.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.8 mt -74.48 -38.64 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.654 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -74.49 -35.15 63.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.428 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.82 ' O ' HD12 ' A' ' 89' ' ' ILE . 4.6 mp -59.46 -41.05 88.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.409 ' HA ' HG23 ' A' ' 97' ' ' ILE . . . -61.15 -46.72 89.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.569 ' CD1' ' HA2' ' A' ' 5' ' ' GLY . 1.3 t80 -71.57 -49.46 40.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.708 ' CB ' HD12 ' A' ' 25' ' ' ILE . 6.2 mp -56.32 -51.23 69.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.82 HD12 ' O ' ' A' ' 85' ' ' LEU . 8.0 mt -61.05 -51.81 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.524 ' NH2' ' CE1' ' A' ' 87' ' ' PHE . 1.3 mtm180 -38.88 -34.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -71.88 -46.46 57.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.633 ' HB3' HD21 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -89.85 0.78 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.729 ' HB1' ' HG3' ' A' ' 96' ' ' ARG . . . -176.06 84.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -6.14 24.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -96.09 -77.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.576 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.729 ' HG3' ' HB1' ' A' ' 93' ' ' ALA . 1.0 OUTLIER -67.85 106.31 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.493 ' CD1' ' HG2' ' A' ' 90' ' ' ARG . 5.8 mt -132.82 159.85 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 p -111.65 125.02 68.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -101.36 -173.29 2.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.584 1.178 . . . . 0.0 109.615 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.489 ' HD3' HD22 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -166.63 130.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.3 p -117.24 149.93 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.777 HG13 ' O ' ' A' ' 102' ' ' VAL . 9.0 p -116.74 80.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.23 -38.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 t -135.22 176.99 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.423 ' OD1' HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -87.33 136.92 32.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -133.86 168.93 17.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.517 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 20.0 mt-10 -152.51 141.82 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.837 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -145.63 142.5 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.211 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.4 ' O ' HG13 ' A' ' 117' ' ' ILE . . . -162.59 175.6 38.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.73 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -153.22 164.65 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.263 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.449 ' N ' HG13 ' A' ' 110' ' ' VAL . 37.8 p -113.12 -26.65 8.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.524 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.63 -49.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.332 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER 153.92 -21.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.6 -70.15 1.31 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.4 OUTLIER -86.89 135.89 33.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.311 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.73 HG22 HG23 ' A' ' 110' ' ' VAL . 2.2 pp -115.51 163.56 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.6 pp -131.6 139.63 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.517 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -138.04 154.5 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -164.63 170.9 15.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -110.84 12.33 22.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 120' ' ' LEU . 9.8 t-20 60.94 142.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.954 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.528 0.204 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 166.77 150.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' O ' ' CB ' ' A' ' 4' ' ' ARG . 3.1 pt-20 -124.9 130.04 51.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.228 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.544 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER 161.85 156.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.337 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.566 ' HA3' ' CZ ' ' A' ' 87' ' ' PHE . . . 132.97 82.95 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.655 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER 42.26 53.51 4.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.96 -58.0 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -157.66 64.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 0.0 110.265 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.664 ' HG2' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -84.12 -83.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -153.84 -77.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.485 ' C ' HD13 ' A' ' 15' ' ' LEU . 11.5 mt -77.15 0.97 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.29 -33.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.31 -56.6 19.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.624 ' O ' HD11 ' A' ' 79' ' ' ILE . 3.9 tt0 -60.61 -25.28 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.485 HD13 ' C ' ' A' ' 11' ' ' ILE . 9.0 mp -73.69 -50.15 22.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -56.75 -34.98 68.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -67.33 -33.95 76.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.385 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -84.92 153.8 22.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.681 ' CA ' ' HB2' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -175.91 -41.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.873 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.3 tp60 38.07 31.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.2 m-20 45.46 25.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.068 . . . . 0.0 109.251 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 20' ' ' GLN . 53.9 t -104.65 -102.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.704 ' N ' HG12 ' A' ' 22' ' ' VAL . 11.0 m -79.6 16.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.681 ' HB2' ' CA ' ' A' ' 19' ' ' ARG . . . -66.71 61.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.752 HD11 HD22 ' A' ' 40' ' ' LEU . 82.2 mt -67.21 -20.51 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.655 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 42.0 mt-10 -65.37 -59.0 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.398 1.061 . . . . 0.0 110.221 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -47.93 73.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 7.3 mttt -55.18 -53.96 49.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -49.42 -61.94 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -14.11 14.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.24 45.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 47.84 34.04 3.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -53.56 169.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.438 ' N ' HG23 ' A' ' 33' ' ' ILE . 2.2 tt0 -127.02 -64.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.03 34.62 3.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.481 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 22.7 t 67.58 9.63 7.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? 41.02 28.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 36' ' ' SER . 69.6 m-20 54.16 43.37 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.436 HG21 ' HD2' ' A' ' 28' ' ' LYS . 97.7 m -80.22 -83.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -47.38 -24.32 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' ' C ' ' A' ' 39' ' ' THR . 8.7 t70 -76.08 -53.5 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.387 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -48.03 -38.31 16.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.491 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -79.9 -39.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -26.27 25.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -78.47 -5.65 53.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 43' ' ' VAL . 13.1 mt -44.89 -38.57 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 48' ' ' SER . 14.9 mtpt -136.97 -95.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER 155.82 -57.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 48' ' ' SER . 18.4 Cg_endo -74.96 127.65 10.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.461 HG13 ' OE2' ' A' ' 74' ' ' GLU . 28.3 t -150.12 136.68 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -147.96 142.94 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.779 HG22 HD22 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -151.24 147.18 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.668 ' O ' HD21 ' A' ' 67' ' ' LEU . 7.3 tt -96.49 147.15 24.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.692 ' HB2' HD11 ' A' ' 108' ' ' ILE . 4.3 t -114.38 123.43 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.491 ' HG2' HD21 ' A' ' 53' ' ' LEU . 3.6 mtm180 -111.59 -173.06 2.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.459 ' CG ' ' HB ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -50.93 126.78 17.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.358 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.772 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -48.79 -29.72 8.29 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.582 1.176 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.04 -22.95 65.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -112.03 7.84 19.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.483 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 11.1 tp -51.58 -41.37 61.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.16 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.82 ' HA ' HD12 ' A' ' 64' ' ' ILE . 7.3 p-10 -56.89 -48.52 77.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.411 1.069 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.3 tt0 -73.95 -38.97 64.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.558 HD12 ' HG ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -59.74 -24.79 30.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 61' ' ' ASP . 10.4 mt -65.73 -48.63 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 1.027 ' HA ' HD23 ' A' ' 68' ' ' LEU . 12.7 pttt -66.43 -34.47 78.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.64 -37.07 65.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.779 HD22 HG22 ' A' ' 52' ' ' ILE . 14.9 mt -71.62 -43.27 66.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.027 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.69 -46.46 29.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.2 mm-40 -54.6 -24.02 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.8 mm-40 -93.66 -42.17 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.454 ' C ' ' N ' ' A' ' 73' ' ' LYS . 1.4 m -87.31 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 110.079 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -41.21 -28.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.59 -59.41 4.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.461 ' OE2' HG13 ' A' ' 50' ' ' VAL . 8.9 pm0 -80.64 3.12 23.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.4 -169.92 13.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.816 HG21 HG21 ' A' ' 22' ' ' VAL . 5.4 tp -93.59 165.12 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.22 99.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.412 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 2.0 t -134.72 143.97 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.624 HD11 ' O ' ' A' ' 14' ' ' GLU . 18.9 pt -117.81 53.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.455 ' CE1' ' CD2' ' A' ' 88' ' ' LEU . 53.2 m170 -87.33 167.62 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.528 ' O ' HD13 ' A' ' 85' ' ' LEU . 84.1 m-20 -107.04 174.64 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.28 -31.66 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.664 HD12 ' HG2' ' A' ' 9' ' ' LYS . 5.8 mt -74.3 -36.22 42.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.708 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -73.02 -35.07 66.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.419 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -59.66 -39.11 83.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.458 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -64.69 -43.71 92.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.566 ' CZ ' ' HA3' ' A' ' 5' ' ' GLY . 2.2 t80 -71.12 -49.94 38.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.708 HD22 ' CG2' ' A' ' 84' ' ' THR . 3.5 mp -59.22 -48.97 79.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.58 HG23 ' NZ ' ' A' ' 92' ' ' LYS . 78.9 mt -63.16 -50.51 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.604 1.19 . . . . 0.0 109.379 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.493 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 4.8 mtm180 -38.33 -34.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -66.75 -44.24 82.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.58 ' NZ ' HG23 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -88.64 -15.77 34.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -154.27 74.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 90' ' ' ARG . 4.3 p -73.41 -2.62 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -89.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.643 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.474 ' HD3' ' CG1' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -93.32 108.49 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.554 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -118.21 171.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.601 1.188 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.554 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.1 p -98.01 152.08 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.15 -172.04 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.3 126.73 14.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.5 p -119.59 149.92 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.772 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.9 p -129.22 84.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.96 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.3 t -135.24 176.99 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -89.47 134.89 33.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -138.32 171.06 14.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 47.9 mt-10 -151.81 145.36 24.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.752 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -143.25 140.6 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.418 ' O ' ' CG1' ' A' ' 117' ' ' ILE . . . -160.75 148.79 17.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.168 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 1.061 HG23 HG23 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -132.68 163.52 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 0.724 . . . . 0.0 109.314 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.428 ' N ' HG13 ' A' ' 110' ' ' VAL . 31.9 p -112.29 -25.15 9.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.391 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -151.28 -49.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.47 ' OD2' ' HB1' ' A' ' 93' ' ' ALA . 0.7 OUTLIER 157.4 -23.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.236 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.79 -73.91 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.5 pm0 -78.4 136.11 37.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 1.061 HG23 HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -123.12 162.75 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 109' ' ' GLY . 5.3 pt -132.51 139.16 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -133.01 154.38 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.56 166.41 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.613 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -114.37 6.58 16.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.608 1.193 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 120' ' ' LEU . 8.9 t-20 61.03 142.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.019 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.52 0.2 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -139.35 144.07 38.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -106.24 125.53 51.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.433 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 1.0 OUTLIER 168.77 164.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.28 -95.19 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.71 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -98.52 58.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.2 t -93.81 -42.61 9.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.91 55.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.88 -79.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.97 -69.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.608 ' O ' HD13 ' A' ' 15' ' ' LEU . 23.9 mt -74.69 -1.93 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.14 -42.26 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 11.6 ptp180 -56.52 -53.72 54.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 18' ' ' THR . 5.1 tt0 -56.06 -35.08 66.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.998 HD23 HG21 ' A' ' 84' ' ' THR . 11.2 mp -61.4 -56.19 23.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -32.03 33.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 m -82.71 -27.42 31.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.6 ' CG2' ' HE2' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -84.54 -173.6 4.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.932 ' O ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER 77.72 13.05 1.84 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 19' ' ' ARG . 23.8 mm-40 33.61 40.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 t30 41.69 27.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.932 HG12 ' O ' ' A' ' 19' ' ' ARG . 13.1 p -96.91 -3.96 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -149.32 -78.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 34.7 67.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.672 HD12 ' HG ' ' A' ' 88' ' ' LEU . 4.9 mt -45.4 -25.4 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.71 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -65.41 -41.44 93.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ALA . 3.3 mtp180 -76.12 -49.75 16.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -58.31 -39.38 79.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -64.57 -61.03 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -11.86 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.67 46.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.9 m120 50.82 35.31 11.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.589 HG23 ' N ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -60.48 175.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.589 ' N ' HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER 86.22 19.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.359 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -112.89 12.51 19.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 1.8 m 84.88 73.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -95.82 -34.03 12.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 110.26 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 61.29 14.44 5.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 m -75.38 -81.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.402 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.483 ' CD1' ' HB3' ' A' ' 91' ' ' GLU . 2.1 pt? -47.35 -27.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -67.23 -58.26 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -52.23 -31.35 31.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -83.93 -25.09 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 45' ' ' SER . 2.7 pttt -64.17 -45.81 86.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 8.3 t -56.46 -20.07 18.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' A' ' 46' ' ' LEU . 9.0 mt -83.05 6.51 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD3' ' NH1' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -52.02 -50.79 60.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.551 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 49.79 -179.5 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.1 Cg_endo -75.0 131.29 14.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 51' ' ' ARG . 99.5 t -149.16 160.84 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' N ' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -155.43 139.68 16.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.76 HD13 ' OG ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -162.4 148.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.855 ' O ' HD11 ' A' ' 67' ' ' LEU . 2.5 tt -97.7 148.94 22.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.506 ' SG ' ' CD1' ' A' ' 60' ' ' LEU . 6.7 t -118.77 139.25 51.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.1 -173.97 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.318 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -52.85 143.03 17.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.778 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -50.91 -19.35 3.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -79.43 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -2.11 5.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.376 1.048 . . . . 0.0 110.405 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.599 ' O ' HD13 ' A' ' 64' ' ' ILE . 4.5 tp -48.41 -41.16 28.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -57.28 -50.06 74.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -41.57 67.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -57.66 -34.59 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.715 HD11 ' HB2' ' A' ' 82' ' ' SER . 0.5 OUTLIER -62.22 -38.47 81.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.767 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -64.98 -43.01 94.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -34.79 72.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.255 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.855 HD11 ' O ' ' A' ' 53' ' ' LEU . 52.2 mt -67.97 -44.08 77.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.767 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.48 -44.84 25.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.6 mm-40 -56.3 -24.09 41.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.7 mm-40 -93.12 -40.6 10.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.76 ' OG ' HD13 ' A' ' 52' ' ' ILE . 38.3 m -91.15 -64.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.597 ' N ' ' O ' ' A' ' 68' ' ' LEU . 4.9 t30 -40.13 -32.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.62 -50.97 68.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -92.87 6.7 46.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.17 -171.53 13.95 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 77' ' ' HIS . 7.5 tp -92.18 154.98 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -45.11 99.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.589 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.458 HG11 HH21 ' A' ' 19' ' ' ARG . 3.9 t -134.74 142.3 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.496 HG13 HG21 ' A' ' 18' ' ' THR . 3.3 pt -127.87 37.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.6 ' HE2' ' CG2' ' A' ' 18' ' ' THR . 11.7 m170 -87.45 164.28 16.26 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 109.567 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.569 ' HA ' ' CG1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -101.38 167.79 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.715 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -63.42 -29.75 70.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.536 HG13 HD21 ' A' ' 60' ' ' LEU . 2.3 mt -65.09 -40.6 89.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.998 HG21 HD23 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -78.75 -32.39 46.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -57.64 -36.72 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.434 ' HA ' ' CG2' ' A' ' 97' ' ' ILE . . . -63.76 -45.16 91.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.433 ' CE2' ' O ' ' A' ' 4' ' ' ARG . 1.8 t80 -72.03 -51.52 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.982 HD13 HG23 ' A' ' 84' ' ' THR . 6.6 mp -56.19 -50.44 71.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.657 ' O ' ' N ' ' A' ' 93' ' ' ALA . 67.9 mt -64.32 -50.46 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.503 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -38.63 -35.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.577 ' HB2' HG21 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -72.32 -44.98 61.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -89.06 0.73 56.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.732 ' HB1' ' HG3' ' A' ' 96' ' ' ARG . . . -176.62 84.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.532 ' O ' HD11 ' A' ' 97' ' ' ILE . 10.3 p -69.02 -6.33 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.09 -75.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.645 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.732 ' HG3' ' HB1' ' A' ' 93' ' ' ALA . 0.3 OUTLIER -70.38 104.64 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.532 HD11 ' O ' ' A' ' 94' ' ' SER . 1.8 mt -133.09 159.49 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.729 HG23 HG12 ' A' ' 108' ' ' ILE . 2.2 p -108.48 128.91 63.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -172.14 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.486 ' HG3' HD13 ' A' ' 60' ' ' LEU . 6.9 tmm_? -169.14 114.85 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.58 149.0 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.778 HG13 ' N ' ' A' ' 57' ' ' GLY . 1.5 t -112.84 67.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.418 ' N ' ' HG2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -165.83 -42.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.2 p -129.7 176.25 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.487 ' O ' HD23 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -98.31 147.01 25.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.548 ' CD1' ' HG ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -151.81 134.33 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 118' ' ' VAL . 54.3 mt-10 -105.68 148.98 26.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.737 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -141.95 146.36 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.495 ' C ' ' CG1' ' A' ' 117' ' ' ILE . . . -167.71 170.55 41.84 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.437 1.086 . . . . 0.0 110.982 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -146.08 168.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.497 ' N ' HG13 ' A' ' 110' ' ' VAL . 18.3 p -114.09 -27.94 7.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.408 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.99 -48.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.2 OUTLIER 154.17 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.41 -70.99 1.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.635 ' O ' HG22 ' A' ' 110' ' ' VAL . 5.7 mm-40 -78.55 161.35 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.7 157.67 43.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.495 ' CG1' ' C ' ' A' ' 109' ' ' GLY . 6.9 pt -132.4 140.3 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 107' ' ' GLU . 14.9 p -145.44 154.29 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -173.39 128.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.548 ' HG ' ' CD1' ' A' ' 106' ' ' PHE . 4.5 mp -81.55 50.82 1.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.3 t-20 61.43 140.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtt . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.439 0.162 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.81 -49.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 4.1 pt-20 -39.24 133.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 19.7 ptt180 44.64 -168.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.86 -151.67 16.96 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.693 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -99.05 57.24 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.97 -53.71 3.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.43 47.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HG2' ' CD1' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -65.59 -67.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -164.33 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mt -73.84 -0.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.01 -41.38 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 14.8 ptt180 -55.01 -54.63 40.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' N ' ' CG ' ' A' ' 13' ' ' ARG . 2.2 tt0 -59.34 -27.72 66.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.991 ' O ' HG22 ' A' ' 18' ' ' THR . 0.5 OUTLIER -72.0 -52.09 18.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -52.48 -34.99 51.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.221 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 m -60.74 -27.23 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.991 HG22 ' O ' ' A' ' 15' ' ' LEU . 4.7 t -85.61 -149.42 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.784 ' N ' HG23 ' A' ' 18' ' ' THR . 13.2 ttp-105 85.04 36.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.02 62.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER 64.92 25.53 12.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.038 HG21 ' CG2' ' A' ' 78' ' ' VAL . 8.0 p -100.19 75.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 1.7 t 89.03 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.951 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 32.55 54.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.5 HD12 ' HG ' ' A' ' 88' ' ' LEU . 93.4 mt -71.27 -35.43 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.693 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 6.3 pt-20 -67.59 -47.05 70.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -54.19 44.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -56.53 -56.89 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.385 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.45 -61.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -18.9 40.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.594 1.184 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -80.39 46.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.9 m120 45.98 35.14 2.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -54.89 156.49 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.432 1.083 . . . . 0.0 109.233 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -175.07 34.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.364 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp 69.51 80.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -150.9 -48.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -64.12 -38.43 91.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 61.83 34.49 17.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.6 m -74.76 -82.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.844 HD13 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -47.55 -27.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.844 ' N ' HD13 ' A' ' 40' ' ' LEU . 25.5 t0 -66.7 -56.93 8.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 3.0 t80 -51.85 -33.27 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.607 1.192 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -83.76 -21.97 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.433 1.083 . . . . 0.0 109.349 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.493 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -66.36 -44.13 84.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.493 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 34.2 t -45.1 -44.97 10.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 46' ' ' LEU . 1.7 mt -39.26 -41.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 42.06 38.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.8 m -62.74 145.73 95.36 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.477 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.1 Cg_endo -75.02 149.27 36.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.477 HG23 ' C ' ' A' ' 49' ' ' PRO . 62.7 t -155.11 161.27 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' N ' HG12 ' A' ' 50' ' ' VAL . 1.3 ttt180 -158.61 139.5 12.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.42 1.075 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.485 ' CG2' ' HB2' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -156.74 146.81 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.681 HD21 ' HG2' ' A' ' 55' ' ' ARG . 7.4 tt -93.81 148.98 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.641 ' HB2' HD11 ' A' ' 108' ' ' ILE . 27.4 t -118.91 126.29 51.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 108.354 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.681 ' HG2' HD21 ' A' ' 53' ' ' LEU . 7.2 mtm180 -115.63 -171.94 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -49.98 127.29 16.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.816 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -46.41 -26.68 2.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.13 -33.73 76.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.754 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.957 HG23 HD13 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -99.4 8.19 44.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 64' ' ' ILE . 8.0 tp -55.35 -45.22 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -52.12 -49.12 64.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -36.37 67.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.957 HD13 HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -61.16 -27.5 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -62.6 -50.13 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -63.07 -34.24 77.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.56 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.1 mtp180 -73.47 -33.49 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -61.36 -50.37 73.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -46.37 -50.46 16.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 7.1 mm-40 -51.58 -24.63 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.485 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 2.7 mm-40 -94.41 -41.42 9.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.592 1.183 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 74' ' ' GLU . 20.1 m -86.47 -66.34 0.92 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.029 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 t30 -40.46 -29.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -62.49 -51.16 68.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.0 pp20? -95.53 3.31 54.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.01 -172.63 13.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.427 ' HA ' HD12 ' A' ' 76' ' ' ILE . 8.3 tp -92.7 162.46 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.428 0.722 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.19 100.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.038 ' CG2' HG21 ' A' ' 22' ' ' VAL . 2.9 t -134.25 137.41 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.586 HD11 ' HB ' ' A' ' 18' ' ' THR . 46.1 pt -114.72 49.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.441 ' HA ' HD11 ' A' ' 15' ' ' LEU . 54.6 m170 -87.14 167.96 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.574 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.883 ' O ' HD13 ' A' ' 85' ' ' LEU . 3.5 m-20 -111.87 172.51 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.3 t -68.6 -30.81 69.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.548 HD13 HH21 ' A' ' 100' ' ' ARG . 13.7 mt -74.1 -35.03 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.632 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -76.57 -33.59 58.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.473 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.883 HD13 ' O ' ' A' ' 81' ' ' ASP . 5.8 mp -58.82 -41.89 87.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.416 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -63.9 -41.63 97.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -72.31 -49.75 32.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.632 HD22 ' CG2' ' A' ' 84' ' ' THR . 5.5 mp -61.53 -40.15 93.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.586 ' O ' ' N ' ' A' ' 93' ' ' ALA . 75.8 mt -69.65 -51.61 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.419 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -38.76 -34.71 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.453 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 2.5 mm-40 -70.59 -46.23 63.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.593 ' HB3' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.31 1.95 55.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.586 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -170.52 79.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.4 p -79.58 3.42 18.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.443 1.089 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -87.15 -88.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.551 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -100.71 111.83 24.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.7 OUTLIER -115.54 171.84 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.5 p -97.05 148.39 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.62 -168.96 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.563 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.548 HH21 HD13 ' A' ' 83' ' ' ILE . 4.7 ppt_? -160.66 119.35 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.0 p -112.33 149.49 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.816 HG23 ' N ' ' A' ' 57' ' ' GLY . 9.4 p -116.17 85.71 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.96 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 t -135.54 176.88 8.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.7 ' O ' HD23 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -98.4 137.11 37.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.638 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.99 139.47 18.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.611 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 32.6 mt-10 -111.34 148.95 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.641 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -135.91 137.21 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.363 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.42 ' CA ' HG13 ' A' ' 117' ' ' ILE . . . -149.33 154.93 26.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 1.032 HG23 HG22 ' A' ' 116' ' ' ILE . 0.8 OUTLIER -143.56 156.75 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 p -115.13 -20.77 10.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 110.379 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -144.73 -53.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.253 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 5.3 m-20 155.55 -23.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.46 -70.56 1.33 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.462 ' O ' HG22 ' A' ' 110' ' ' VAL . 2.4 pm0 -79.2 136.98 37.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 1.032 HG22 HG23 ' A' ' 110' ' ' VAL . 2.2 pp -122.79 166.56 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.42 HG13 ' CA ' ' A' ' 109' ' ' GLY . 1.2 pt -132.75 140.3 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.611 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 17.9 m -122.43 153.45 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.3 110.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.7 HD23 ' O ' ' A' ' 105' ' ' ASP . 3.0 mp -84.12 50.21 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 120' ' ' LEU . 12.2 t-20 61.24 140.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.515 0.197 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.36 161.06 43.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.359 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -125.28 162.1 25.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -129.06 128.46 43.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.554 ' HA3' ' CD1' ' A' ' 87' ' ' PHE . . . -146.88 -82.77 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.644 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -85.46 -80.62 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.02 -87.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 6' ' ' TRP . 10.2 tt0 -158.48 54.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.713 ' HD2' HG21 ' A' ' 83' ' ' ILE . 3.4 mmtt -57.37 -65.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HE2' ' CB ' ' A' ' 61' ' ' ASP . 12.5 tttt -154.28 -84.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.438 HG22 ' HB3' ' A' ' 14' ' ' GLU . 10.8 mt -75.5 5.16 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 8' ' ' GLN . . . -39.31 -37.14 0.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.162 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -58.69 6.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.511 ' HG2' HD12 ' A' ' 79' ' ' ILE . 1.3 tt0 -59.24 -24.93 63.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.966 ' O ' HG22 ' A' ' 18' ' ' THR . 0.9 OUTLIER -69.17 -60.4 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' O ' ' NH1' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -51.26 -30.53 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 2.2 m -69.48 -29.54 67.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.966 HG22 ' O ' ' A' ' 15' ' ' LEU . 6.9 t -81.9 -144.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.77 ' N ' HG23 ' A' ' 18' ' ' THR . 0.0 OUTLIER 35.14 67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.22 60.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' ARG . 7.5 m-20 62.3 23.61 13.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 22' ' ' VAL . 73.6 t -100.19 3.92 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 24' ' ' ALA . 20.5 t -176.05 -73.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.984 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 37.77 60.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.498 HD12 ' CA ' ' A' ' 88' ' ' LEU . 11.0 mt -50.55 -25.65 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.644 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 10.6 pt-20 -71.84 -52.87 15.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 18.6 ttt180 -58.12 -50.67 72.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.1 -57.68 11.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -45.27 -62.82 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 mmm -57.18 -21.72 35.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.65 47.21 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 44.93 35.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -54.12 158.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 13.9 tt0 -174.41 -48.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 10.0 mttt 169.38 82.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.239 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -146.49 -72.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.978 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -51.64 -49.89 61.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 60.17 44.73 12.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 41' ' ' ASP . 84.3 m -76.46 -83.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.808 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -46.12 -25.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.808 ' N ' HD22 ' A' ' 40' ' ' LEU . 7.6 t70 -70.99 -55.68 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -51.42 -37.21 47.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -27.8 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.8 ' CE ' HH21 ' A' ' 96' ' ' ARG . 0.0 OUTLIER -63.58 -34.71 78.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' LEU . 37.5 t -53.11 -45.13 68.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.041 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 46' ' ' LEU . 1.5 mt -39.94 -58.08 1.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 mttt 66.79 60.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.97 144.56 30.25 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.438 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -74.99 144.65 30.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.438 HG23 ' C ' ' A' ' 49' ' ' PRO . 23.8 t -153.04 161.31 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.3 142.5 9.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.52 ' CG2' ' HB2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -154.05 148.6 13.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 109.247 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.573 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -97.81 145.2 26.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.77 ' HB2' HD11 ' A' ' 108' ' ' ILE . 3.9 t -103.33 139.06 39.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.573 ' HG2' HD21 ' A' ' 53' ' ' LEU . 1.2 mmm180 -119.98 -174.1 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 59' ' ' THR . 4.3 mtm180 -57.86 127.69 33.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.834 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -46.78 -26.64 2.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -63.63 -35.04 79.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.754 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -99.7 9.15 43.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.532 HD12 HG21 ' A' ' 63' ' ' ILE . 11.6 tp -51.35 -43.76 61.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' CB ' ' HE2' ' A' ' 10' ' ' LYS . 7.8 p-10 -52.67 -49.91 64.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -35.66 68.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.211 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.565 HG22 HD13 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -61.6 -25.92 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.615 HG23 ' O ' ' A' ' 80' ' ' HIS . 1.6 mm -63.01 -48.19 89.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.726 ' HA ' HD21 ' A' ' 68' ' ' LEU . 1.5 tttp -65.03 -34.53 78.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.473 ' HB2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -74.66 -32.85 62.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.516 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 13.5 mt -64.64 -54.15 36.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.726 HD21 ' HA ' ' A' ' 65' ' ' LYS . 3.3 pp -54.62 -39.64 68.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.683 ' HG2' HD12 ' A' ' 68' ' ' LEU . 4.6 mm-40 -60.81 -24.03 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.52 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 1.6 mm-40 -95.22 -35.39 11.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.252 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -91.45 -63.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.9 t-20 -43.36 -32.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -53.98 -38.44 65.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.0 OUTLIER -119.53 13.83 12.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.257 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.66 -167.75 12.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 77' ' ' HIS . 7.2 tp -90.59 154.29 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 0.734 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.425 ' N ' HG13 ' A' ' 76' ' ' ILE . 7.3 t-160 -48.42 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.4 1.063 . . . . 0.0 109.565 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.3 t -136.34 140.24 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.511 HD12 ' HG2' ' A' ' 14' ' ' GLU . 35.1 pt -127.57 49.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.615 ' O ' HG23 ' A' ' 64' ' ' ILE . 50.9 m170 -90.0 165.8 13.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.901 ' OD1' HD11 ' A' ' 15' ' ' LEU . 1.3 m-20 -105.22 164.67 11.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.433 ' CB ' ' HD3' ' A' ' 100' ' ' ARG . 1.1 t -55.05 -35.3 64.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.998 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.713 HG21 ' HD2' ' A' ' 9' ' ' LYS . 2.4 mt -63.59 -42.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.744 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -75.9 -35.11 59.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.459 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 1.3 mp -58.29 -41.65 84.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 90' ' ' ARG . . . -62.83 -44.76 95.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.554 ' CD1' ' HA3' ' A' ' 5' ' ' GLY . 0.9 OUTLIER -71.49 -50.99 26.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.744 HD13 HG23 ' A' ' 84' ' ' THR . 6.1 mp -57.92 -50.22 74.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 93' ' ' ALA . 86.6 mt -61.93 -52.9 55.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.484 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 3.2 mtt180 -39.77 -35.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -45.99 61.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.619 ' CB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.19 0.62 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.759 ' HB1' ' HG3' ' A' ' 96' ' ' ARG . . . -176.15 83.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.429 ' O ' HD11 ' A' ' 97' ' ' ILE . 89.9 p -69.22 -6.05 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -95.96 -75.49 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.559 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.8 HH21 ' CE ' ' A' ' 44' ' ' LYS . 4.8 ppt_? -70.83 104.38 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.54 HG22 ' H ' ' A' ' 98' ' ' VAL . 4.7 mt -128.99 170.96 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.54 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.5 p -117.44 135.49 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.619 ' HA ' HH21 ' A' ' 100' ' ' ARG . 57.8 t-80 -97.01 169.78 9.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.559 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.619 HH21 ' HA ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -143.99 115.47 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.8 p -116.01 149.33 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.834 HG23 ' N ' ' A' ' 57' ' ' GLY . 9.9 p -124.7 81.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.355 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -177.29 -38.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.3 m -134.89 176.6 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.03 136.79 32.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.82 170.54 15.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 46.4 mt-10 -154.78 140.22 17.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.785 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -145.45 142.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.44 ' O ' ' CG1' ' A' ' 117' ' ' ILE . . . -166.82 162.77 36.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -133.01 168.87 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.261 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.508 ' N ' HG13 ' A' ' 110' ' ' VAL . 73.1 p -114.81 -28.53 7.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.36 -49.27 0.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER 155.4 -21.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.11 -68.18 1.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.687 ' O ' HG22 ' A' ' 110' ' ' VAL . 18.9 mm-40 -81.09 150.17 28.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 0.726 . . . . 0.0 110.332 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.684 HG22 HG23 ' A' ' 110' ' ' VAL . 2.0 pp -128.26 159.85 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 109' ' ' GLY . 5.9 pt -131.52 139.96 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 14.3 p -140.18 157.22 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -169.1 168.08 10.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.738 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -106.57 14.37 27.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.5 t-20 61.12 141.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.1 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.518 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 3.8 mtt . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.526 0.203 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.518 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 157.34 44.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.92 127.0 51.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.456 HH11 ' N ' ' A' ' 4' ' ' ARG . 0.7 OUTLIER 47.2 -174.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.22 91.25 1.95 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.569 1.168 . . . . 0.0 111.01 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.722 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -94.86 29.57 2.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -35.1 79.46 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.576 1.172 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 170.86 72.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.92 -77.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -138.47 -85.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 mt -77.4 3.07 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.27 -35.06 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -57.53 11.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.757 ' O ' HD11 ' A' ' 79' ' ' ILE . 1.4 mt-10 -59.65 -30.73 68.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 80' ' ' HIS . 1.1 tt -65.83 -52.29 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -55.37 -37.41 67.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -27.6 68.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.436 ' HB ' ' CG1' ' A' ' 79' ' ' ILE . 0.5 OUTLIER -87.78 128.42 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.538 ' CG ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 176.17 40.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.225 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -69.47 59.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.02 27.34 12.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.802 HG13 ' N ' ' A' ' 23' ' ' SER . 2.7 p -90.44 -146.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.802 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -49.87 -63.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.019 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.538 ' HB2' ' CG ' ' A' ' 19' ' ' ARG . . . 45.09 53.28 7.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 88' ' ' LEU . 62.9 mt -76.59 -30.47 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.722 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -66.03 -42.19 89.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -74.26 -50.44 18.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 10.4 mttm -56.24 -44.43 79.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 109.371 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -61.98 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -12.33 7.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -79.08 46.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 51.1 30.9 5.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -57.32 137.28 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.24 -64.71 1.02 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 110.352 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.44 45.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' ASN . 9.8 t -136.59 -88.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.1 OUTLIER 64.91 -71.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER 80.13 10.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 40' ' ' LEU . 3.7 m -77.11 -92.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.345 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.828 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -43.5 -27.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.828 ' N ' HD22 ' A' ' 40' ' ' LEU . 21.0 t70 -69.9 -56.44 7.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -49.28 -38.75 28.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -78.3 -30.5 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -60.01 -35.18 74.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' LEU . 48.3 t -50.88 -46.28 60.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.075 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 43' ' ' VAL . 1.6 mt -39.2 -51.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.4 mttt 68.6 63.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.9 p -96.45 139.56 21.75 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.435 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.4 Cg_endo -75.0 151.58 39.68 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.435 HG23 ' C ' ' A' ' 49' ' ' PRO . 44.5 t -152.91 161.38 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -160.16 142.43 13.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.663 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -161.49 147.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.593 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -99.42 148.03 24.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.431 ' HB2' HD11 ' A' ' 108' ' ' ILE . 23.5 t -108.01 129.4 55.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.593 ' HG2' HD21 ' A' ' 53' ' ' LEU . 8.9 mmt180 -116.19 -174.75 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.223 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.86 126.59 20.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.802 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -47.25 -28.22 4.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -61.3 -31.66 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.417 0.716 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -103.53 7.97 37.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.483 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 7.4 tp -49.64 -40.91 41.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.827 ' HA ' HD12 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -57.09 -49.38 76.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -38.59 67.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.236 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.646 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -57.39 -29.61 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.233 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 61' ' ' ASP . 9.2 mt -61.9 -46.6 96.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.655 ' HA ' HD23 ' A' ' 68' ' ' LEU . 6.9 tttt -63.75 -39.23 93.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' HB2' HD13 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -70.44 -34.57 72.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.663 HD13 ' HB ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -65.27 -51.88 57.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.655 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -49.12 -44.47 42.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.28 -24.76 45.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.497 ' HB2' HG23 ' A' ' 52' ' ' ILE . 4.1 mm-40 -93.64 -41.04 9.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 74' ' ' GLU . 14.3 m -85.73 -65.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.5 t30 -42.24 -29.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -63.75 -48.65 76.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.9 pt-20 -97.05 6.84 47.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.51 -171.46 13.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.555 1.159 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 78' ' ' VAL . 6.7 mm -91.61 161.46 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -47.24 98.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.597 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 76' ' ' ILE . 83.2 t -135.8 141.99 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.757 HD11 ' O ' ' A' ' 14' ' ' GLU . 21.8 pt -122.12 51.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.534 ' ND1' ' CD2' ' A' ' 88' ' ' LEU . 65.0 m170 -88.26 167.24 13.74 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.551 1.157 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.553 ' HA ' HG23 ' A' ' 64' ' ' ILE . 6.7 m-20 -112.99 175.63 5.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.227 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -68.87 -32.27 71.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 110.064 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.513 HG23 ' NH1' ' A' ' 100' ' ' ARG . 14.9 mt -70.18 -35.59 63.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.658 HG23 HD13 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -77.42 -36.67 52.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.514 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.67 -35.73 75.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.25 -50.29 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.34 -48.41 42.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.849 ' HA ' HD12 ' A' ' 25' ' ' ILE . 7.4 mp -56.29 -38.86 71.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 93' ' ' ALA . 68.4 mt -74.18 -50.84 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.409 HH21 ' HE ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -38.81 -36.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -43.48 32.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.242 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.631 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -83.11 -3.25 57.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.648 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -177.45 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.09 0.99 16.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.09 -77.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.544 ' HB3' HG21 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -101.29 108.51 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.52 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -117.47 171.49 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.59 HG23 HG12 ' A' ' 108' ' ' ILE . 5.2 p -100.07 148.29 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.591 ' NE2' ' CE2' ' A' ' 106' ' ' PHE . 46.8 p-80 -111.76 -172.88 2.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.677 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.514 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 7.9 ptp180 -144.25 117.09 8.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.381 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.51 143.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.802 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.4 p -128.85 81.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.75 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.1 m -134.38 176.52 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.96 141.41 28.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.591 ' CE2' ' NE2' ' A' ' 99' ' ' HIS . 0.2 OUTLIER -144.92 166.46 25.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.645 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 0.7 OUTLIER -149.49 146.61 27.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.867 HG23 HG12 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -146.9 145.06 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.365 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.24 169.42 38.34 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -154.0 170.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.5 ' N ' HG13 ' A' ' 110' ' ' VAL . 3.3 p -115.89 -26.38 7.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.42 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -153.79 -45.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 160.77 -24.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.57 -75.08 1.0 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.673 ' O ' HG22 ' A' ' 110' ' ' VAL . 3.5 pm0 -79.54 136.61 36.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 0.717 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.647 HG22 HG23 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -132.75 166.21 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.577 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.9 pp -130.98 139.68 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.867 HG12 HG23 ' A' ' 108' ' ' ILE . 4.3 m -149.27 157.22 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 106' ' ' PHE . 5.5 t0 -170.4 170.66 6.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -107.16 11.56 29.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 120' ' ' LEU . 5.4 t30 61.49 142.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.619 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 8' ' ' GLN . 99.9 p -97.7 45.41 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.406 ' CB ' ' O ' ' A' ' 7' ' ' SER . 2.6 tm0? 79.11 63.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.222 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -75.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -139.09 -92.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.432 ' C ' HD13 ' A' ' 15' ' ' LEU . 15.6 mt -71.29 -2.07 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.23 -37.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.42 ' CG ' ' H ' ' A' ' 14' ' ' GLU . 20.9 ptt85 -54.4 -55.47 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.818 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.7 OUTLIER -61.38 -28.33 69.16 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.44 1.088 . . . . 0.0 110.255 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.671 HD21 ' H ' ' A' ' 81' ' ' ASP . 7.8 mp -68.5 -57.98 5.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -51.92 -31.47 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.456 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 23.7 m -71.85 -27.43 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -87.35 122.55 31.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.479 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 2.4 ptt180 178.43 52.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 110.227 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.431 ' C ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.23 65.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.225 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 52.92 21.23 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 23' ' ' SER . 2.1 t -91.04 -139.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.482 ' H ' HG12 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -49.83 -60.49 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 37.84 56.27 1.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.823 HD12 ' HG ' ' A' ' 88' ' ' LEU . 36.5 mt -67.95 -26.73 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.619 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 10.1 mt-10 -69.59 -52.09 29.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -47.34 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -59.42 -58.3 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' A' ' 92' ' ' LYS . 1.4 pt? . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.8 -55.89 8.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.363 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -54.34 -35.86 63.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.98 -23.04 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.468 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -65.73 -42.57 90.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -46.66 -44.98 18.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 mt -41.15 -57.06 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.94 44.48 30.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -78.02 149.65 76.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.045 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.432 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -74.97 149.46 36.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.432 HG23 ' C ' ' A' ' 49' ' ' PRO . 46.4 t -152.31 161.59 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.424 ' N ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -159.46 135.07 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.517 HD12 HD13 ' A' ' 67' ' ' LEU . 3.0 pt -152.16 147.81 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.448 HD12 ' CG ' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -100.97 148.4 25.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.182 . . . . 0.0 109.323 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.801 ' HB2' HD11 ' A' ' 108' ' ' ILE . 2.0 t -112.79 140.82 47.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.192 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -125.04 -172.92 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -51.24 126.05 15.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.817 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -47.99 -31.56 8.22 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.581 1.176 . . . . 0.0 111.037 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.0 -18.68 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.969 HG23 HD13 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -115.72 6.09 14.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.417 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.45 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 9.5 tp -49.73 -41.3 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.806 ' HA ' HD12 ' A' ' 64' ' ' ILE . 7.8 p-10 -56.88 -50.8 71.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -35.9 66.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.969 HD13 HG23 ' A' ' 59' ' ' THR . 0.6 OUTLIER -60.22 -29.91 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.806 HD12 ' HA ' ' A' ' 61' ' ' ASP . 8.5 mt -60.83 -43.44 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -67.6 -38.4 83.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -34.71 71.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.517 HD13 HD12 ' A' ' 52' ' ' ILE . 3.9 mt -64.99 -52.39 56.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -49.51 -45.32 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' O ' ' CD ' ' A' ' 73' ' ' LYS . 2.6 mm-40 -56.33 -24.66 45.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.514 ' HB2' HG22 ' A' ' 52' ' ' ILE . 3.3 mm-40 -93.42 -41.0 10.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 74' ' ' GLU . 65.3 m -86.39 -66.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.063 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 t30 -42.2 -28.32 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -61.69 -48.26 81.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.4 pt-20 -106.08 12.44 30.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.69 -168.72 12.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.407 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 7.3 tp -91.61 149.47 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -48.94 99.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 109.605 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.25 142.47 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.818 HD11 ' O ' ' A' ' 14' ' ' GLU . 2.7 pt -117.56 49.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.441 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 12.8 m-70 -86.88 166.37 15.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.651 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.671 ' H ' HD21 ' A' ' 15' ' ' LEU . 65.2 m-20 -107.78 162.84 13.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.1 t -60.28 -30.89 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 36.8 mt -73.26 -34.56 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.803 HG23 HD13 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -79.32 -32.38 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.368 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 81' ' ' ASP . 4.9 mp -60.06 -41.45 92.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.503 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -62.1 -44.56 96.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -71.35 -50.55 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.823 ' HG ' HD12 ' A' ' 25' ' ' ILE . 7.6 mp -59.46 -40.34 86.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.606 ' O ' ' N ' ' A' ' 93' ' ' ALA . 66.3 mt -68.15 -52.02 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 6.9 mtt180 -39.17 -35.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -45.78 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.623 ' HB3' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -89.16 0.37 56.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.606 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -171.92 80.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.1 p -79.8 3.31 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.968 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -87.56 -84.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.615 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.461 ' CD ' ' O ' ' A' ' 114' ' ' GLY . 4.3 mtp180 -102.69 110.46 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.404 1.065 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.541 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -114.87 171.57 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.541 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.6 p -97.65 145.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -116.42 -177.77 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.612 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -144.17 129.63 18.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.28 149.91 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.817 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.7 p -129.25 81.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -178.09 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.37 177.13 8.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.2 138.7 31.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.559 ' CZ ' ' CG2' ' A' ' 118' ' ' VAL . 0.9 OUTLIER -137.61 165.86 25.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.568 1.167 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.543 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 4.2 mt-10 -148.14 140.91 24.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.215 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.801 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -136.88 144.8 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.37 159.02 29.14 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.867 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -152.74 164.5 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.466 ' N ' HG13 ' A' ' 110' ' ' VAL . 70.2 p -115.7 -25.83 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.501 1.125 . . . . 0.0 110.441 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.43 -50.37 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 1.9 m-20 158.76 -24.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.461 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -76.02 -73.08 1.02 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.512 ' O ' HG22 ' A' ' 110' ' ' VAL . 9.3 mm-40 -83.08 133.75 35.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.993 HD12 ' N ' ' A' ' 117' ' ' ILE . 0.5 OUTLIER -128.45 168.85 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.993 ' N ' HD12 ' A' ' 116' ' ' ILE . 2.8 pp -131.37 140.26 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.559 ' CG2' ' CZ ' ' A' ' 106' ' ' PHE . 14.3 p -131.34 154.57 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -166.46 171.7 11.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.668 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -109.13 20.46 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 120' ' ' LEU . 5.2 t30 61.28 139.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.666 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.9 t -69.31 -75.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.84 53.78 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.507 ' HD2' HD13 ' A' ' 83' ' ' ILE . 4.7 mmtm -68.84 -75.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.45 -84.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.522 HG22 ' CD1' ' A' ' 15' ' ' LEU . 11.8 mt -72.46 -4.58 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.34 -27.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -65.54 -56.57 11.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.481 ' O ' HD11 ' A' ' 79' ' ' ILE . 1.8 tp10 -62.32 -22.86 66.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.269 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.522 ' CD1' HG22 ' A' ' 11' ' ' ILE . 9.8 mp -77.39 -59.07 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -50.5 -30.58 13.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 m -77.49 -27.49 51.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -86.9 125.66 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.897 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 0.9 OUTLIER 175.41 61.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.245 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -71.57 58.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.1 m120 47.47 27.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.569 HG21 HD12 ' A' ' 76' ' ' ILE . 8.3 p -106.59 5.54 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.41 -79.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.051 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.897 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 44.29 58.11 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.546 HD12 ' HG ' ' A' ' 88' ' ' LEU . 21.6 mt -72.05 -32.45 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.666 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 1.9 pp20? -67.72 -48.79 65.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' HG3' ' NH2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -63.15 -53.9 46.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -57.84 -57.1 14.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.836 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.836 ' N ' HD22 ' A' ' 40' ' ' LEU . 11.8 t0 -70.85 -55.85 7.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -50.55 -39.08 48.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -78.75 -27.79 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.627 1.204 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -36.76 78.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 46' ' ' LEU . 38.8 t -48.38 -46.25 36.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.399 1.062 . . . . 0.0 109.962 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 43' ' ' VAL . 1.5 mt -39.3 -55.33 1.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.6 mttm 67.6 62.85 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -99.06 142.0 23.86 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.77 35.7 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.4 t -145.01 148.52 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.11 133.15 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.244 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.883 HG22 HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -156.91 147.95 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -98.53 148.92 23.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.489 ' CB ' HD11 ' A' ' 108' ' ' ILE . 17.8 t -111.7 132.86 54.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.545 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -119.82 -173.12 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HD3' HG12 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -51.21 134.37 27.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.811 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -57.88 -19.1 35.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 111.065 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.4 -7.74 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -127.32 6.55 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.673 HD12 HG21 ' A' ' 63' ' ' ILE . 7.7 tp -55.26 -44.44 75.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' A' ' 62' ' ' GLU . 7.6 p-10 -50.91 -49.15 60.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -73.81 -36.35 64.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.673 HG21 HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -63.33 -23.3 32.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.533 HD13 HG22 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -65.77 -48.23 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.975 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -66.18 -35.16 79.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.538 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -73.72 -37.07 65.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.25 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.883 HD22 HG22 ' A' ' 52' ' ' ILE . 2.8 mt -72.33 -42.0 65.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.975 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.01 -43.02 19.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -55.33 -25.09 32.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . 4.1 mm-40 -94.11 -40.58 9.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.324 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 72' ' ' ASN . 2.0 m -86.14 -67.13 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -39.09 -33.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.43 -59.64 5.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.01 7.28 18.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.3 -177.75 15.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.693 HD13 ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -96.36 158.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.244 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.693 ' N ' HD13 ' A' ' 76' ' ' ILE . 13.7 t-160 -40.45 99.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.607 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 80' ' ' HIS . 2.3 t -134.59 139.51 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.481 HD11 ' O ' ' A' ' 14' ' ' GLU . 9.9 pt -116.12 41.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 35.0 m-70 -89.55 166.42 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.612 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.497 ' N ' HD21 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -119.98 167.69 11.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.2 t -55.03 -37.55 66.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.507 HD13 ' HD2' ' A' ' 9' ' ' LYS . 3.4 mt -61.42 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.665 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -73.2 -35.96 66.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 110.404 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.481 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.7 OUTLIER -60.04 -38.71 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.52 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -61.74 -47.53 84.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -71.8 -49.34 39.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.665 HD22 ' CG2' ' A' ' 84' ' ' THR . 6.3 mp -57.84 -38.62 75.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 93' ' ' ALA . 77.5 mt -72.61 -51.14 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.425 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -38.53 -34.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.266 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -46.09 68.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.83 ' HB3' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.87 1.07 56.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -174.1 80.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 p -81.53 6.98 13.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.013 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -91.41 -84.91 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.47 ' HB3' HG21 ' A' ' 116' ' ' ILE . 2.6 mtt180 -98.38 104.53 16.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.533 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -116.89 172.16 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.533 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.1 p -97.5 147.14 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -116.21 -173.99 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.581 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.01 115.83 7.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.5 p -108.36 149.4 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.228 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.811 HG13 ' N ' ' A' ' 57' ' ' GLY . 1.6 t -123.53 67.76 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.78 176.72 8.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -105.22 136.33 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.736 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -144.5 135.05 24.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.589 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 29.2 mt-10 -100.35 146.16 27.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -136.92 146.09 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.48 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -156.41 161.68 31.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.781 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -155.7 158.43 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.784 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.7 p -109.01 -23.88 11.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.94 -52.3 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.64 -26.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.19 -75.59 0.76 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.8 OUTLIER -79.87 137.2 36.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.225 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.781 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -129.39 169.03 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 116' ' ' ILE . 2.8 pp -131.99 140.21 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.589 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -133.07 153.53 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -173.09 122.25 0.39 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.736 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 3.9 mp -81.3 51.33 1.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.613 1.196 . . . . 0.0 109.368 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 120' ' ' LEU . 9.6 t-20 61.54 139.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.636 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 t -73.64 76.26 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.958 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 38.54 62.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -76.08 -78.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.29 -90.46 0.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.424 ' C ' HD13 ' A' ' 15' ' ' LEU . 9.5 mt -80.22 6.03 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -39.84 -33.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -56.41 22.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.413 1.071 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.403 ' CB ' HG22 ' A' ' 11' ' ' ILE . 1.5 tt0 -59.39 -30.13 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 110.333 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.682 HD21 ' N ' ' A' ' 81' ' ' ASP . 7.4 mp -69.73 -47.6 62.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -36.9 71.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -73.77 -27.77 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -80.93 123.27 28.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.401 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.698 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 1.0 OUTLIER 178.19 46.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.539 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.1 mm-40 -68.33 63.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' ARG . 74.4 m-20 54.42 23.13 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 20' ' ' GLN . 9.1 t -96.53 -126.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.491 ' H ' HG12 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -57.59 -70.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 39.35 57.13 2.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.751 HD12 ' HG ' ' A' ' 88' ' ' LEU . 32.2 mt -74.6 -31.3 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.636 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 1.6 pp20? -67.42 -43.33 81.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -52.27 29.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -56.11 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.824 HD12 ' HB3' ' A' ' 92' ' ' LYS . 1.4 pt? . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -64.97 -57.74 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -53.87 -32.52 53.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -80.21 -25.45 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -68.07 -41.49 81.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.551 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.5 t -51.72 -42.42 62.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 46' ' ' LEU . 1.6 mt -39.9 -55.08 2.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 66.19 59.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.71 147.81 34.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.456 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.5 Cg_endo -74.88 149.07 36.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 111.069 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.456 HG23 ' C ' ' A' ' 49' ' ' PRO . 50.9 t -153.83 154.29 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.78 141.35 18.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.643 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -157.9 147.64 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.583 HD21 ' HG2' ' A' ' 55' ' ' ARG . 2.4 tt -96.34 149.13 22.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.699 ' HB3' HD11 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -116.9 131.86 56.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 108.293 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.583 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -121.5 -172.8 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 126.42 16.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.707 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -47.38 -33.35 8.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.422 1.077 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.4 -19.39 9.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.926 HG23 HD13 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -115.6 10.67 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.389 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.471 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 6.0 tp -57.37 -41.72 80.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.876 ' HA ' HD12 ' A' ' 64' ' ' ILE . 6.1 p-10 -54.65 -48.87 71.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.3 tt0 -73.48 -39.96 64.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.926 HD13 HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -58.56 -27.78 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 61' ' ' ASP . 9.3 mt -61.44 -49.9 82.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 2.7 pttt -63.64 -33.49 75.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.518 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.2 mmp_? -73.64 -33.73 64.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.643 HD23 ' CG2' ' A' ' 52' ' ' ILE . 25.1 mt -61.93 -49.14 77.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -46.4 -51.83 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 2.8 mm-40 -53.3 -22.6 7.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.388 1.055 . . . . 0.0 110.258 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.539 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.4 mm-40 -93.51 -42.25 9.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' GLU . 75.2 m -91.7 -65.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.0 t30 -39.29 -30.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.84 -53.51 56.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.5 pp20? -93.53 4.51 53.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -124.72 -170.55 13.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 2.8 mm -91.87 162.96 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 0.738 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.486 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 6.8 t-160 -53.64 99.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.661 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.413 HG13 ' H ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -134.94 138.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.5 pt -116.78 52.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 3.4 m-70 -87.82 168.31 13.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.682 ' N ' HD21 ' A' ' 15' ' ' LEU . 70.3 m-20 -107.57 161.66 14.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.4 t -60.74 -30.23 69.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 mt -74.53 -34.58 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.656 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -77.46 -33.37 54.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -59.93 -38.16 81.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.48 82.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.234 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -46.75 61.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.751 ' HG ' HD12 ' A' ' 25' ' ' ILE . 5.6 mp -62.43 -50.12 72.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 85' ' ' LEU . 52.9 mt -62.06 -50.24 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.466 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 7.1 mtt180 -39.07 -35.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.809 ' HB3' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -67.82 -45.28 75.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.824 ' HB3' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.78 1.1 56.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.752 ' HB1' ' OD1' ' A' ' 113' ' ' ASP . . . -170.57 78.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.7 p -76.76 0.8 19.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -87.12 -96.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.45 ' HB3' HG21 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -89.86 108.95 20.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -116.54 171.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.556 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.5 p -93.11 148.54 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -122.4 -174.04 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.583 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.466 ' HD3' HD13 ' A' ' 60' ' ' LEU . 6.8 ppt_? -165.99 119.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.17 150.05 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.707 HG23 ' N ' ' A' ' 57' ' ' GLY . 14.3 p -111.41 82.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -177.26 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.94 176.98 8.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.443 ' O ' HD23 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -104.3 139.26 39.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.581 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -155.36 137.03 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.615 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 15.7 mt-10 -104.92 139.85 39.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.699 HD11 ' HB3' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -129.56 137.86 55.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.497 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -151.55 166.61 30.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.709 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.7 OUTLIER -153.2 159.07 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.3 p -112.49 -24.39 9.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 110.366 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -144.82 -52.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.752 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 0.3 OUTLIER 159.48 -26.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.95 -63.74 1.72 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.096 . . . . 0.0 110.955 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.1 mt-10 -82.75 127.71 33.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 0.736 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.709 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.8 OUTLIER -118.59 169.66 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.281 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.497 HD11 ' HA3' ' A' ' 109' ' ' GLY . 2.6 pp -132.55 140.57 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.615 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -126.38 153.14 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -169.12 116.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.581 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 3.1 mp -81.12 51.2 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 120' ' ' LEU . 10.6 t-20 61.41 141.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.3 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.15 . . . . 0.0 109.952 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.636 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.4 t -70.73 -53.77 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -175.29 68.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.465 ' HG2' ' CD1' ' A' ' 83' ' ' ILE . 9.3 tptt -84.93 -76.65 0.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -157.24 -82.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.435 HG22 HD12 ' A' ' 15' ' ' LEU . 12.9 mt -66.35 -8.35 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.97 -36.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -57.19 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.547 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -55.98 -26.34 47.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.533 HD23 HG21 ' A' ' 84' ' ' THR . 6.9 mp -77.91 -44.55 26.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -56.35 -30.86 63.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.393 1.058 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 3.6 m -77.01 -27.98 54.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.426 ' HB ' HD11 ' A' ' 79' ' ' ILE . 0.6 OUTLIER -89.69 156.87 18.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.957 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 2.5 ptt180 -176.45 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.42 ' C ' ' N ' ' A' ' 22' ' ' VAL . 1.6 tp60 47.18 22.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' ARG . 6.4 m120 46.74 23.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.42 ' N ' ' C ' ' A' ' 20' ' ' GLN . 3.8 t -117.35 -20.38 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.49 ' CB ' ' NE2' ' A' ' 80' ' ' HIS . 21.7 m -146.89 16.49 1.23 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.565 1.166 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.957 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . -71.99 59.31 0.36 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 88' ' ' LEU . 4.3 mt -72.11 -32.55 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.636 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -73.42 -40.74 64.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.546 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -68.27 -49.94 57.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -57.03 14.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.581 HD12 ' HD2' ' A' ' 92' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.09 -57.37 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -51.26 -34.57 33.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -81.97 -22.52 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.514 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -68.16 -41.03 82.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.514 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.4 t -49.33 -43.16 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.5 mt -38.97 -55.28 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.61 53.17 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.8 p -86.08 144.94 39.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.421 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.5 Cg_endo -74.98 150.96 39.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 111.019 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.458 ' C ' ' CD ' ' A' ' 51' ' ' ARG . 52.5 t -151.95 156.93 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.532 ' N ' ' CD ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -153.74 141.45 20.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.734 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -158.52 149.24 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.494 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -99.25 147.54 25.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.177 . . . . 0.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.587 ' HB2' HD11 ' A' ' 108' ' ' ILE . 49.6 t -112.08 130.3 55.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 108.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.494 ' HG2' HD21 ' A' ' 53' ' ' LEU . 2.0 mmm-85 -119.77 -173.46 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.8 128.72 24.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.845 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -50.68 -32.11 24.22 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.576 1.173 . . . . 0.0 111.025 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.33 -16.87 50.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.787 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -116.35 8.34 14.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.374 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD12 HG21 ' A' ' 63' ' ' ILE . 7.2 tp -54.0 -42.27 68.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.771 ' HA ' HD12 ' A' ' 64' ' ' ILE . 3.1 p30 -54.1 -49.35 69.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 2.6 tt0 -73.53 -41.3 63.21 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.587 HG23 HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -58.67 -28.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.82 ' HA ' HD12 ' A' ' 67' ' ' LEU . 10.0 mt -62.03 -51.97 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.428 1.08 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.523 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -60.4 -33.98 73.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.523 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.3 mmt180 -73.39 -34.86 65.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.247 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.82 HD12 ' HA ' ' A' ' 64' ' ' ILE . 6.2 mt -60.72 -48.95 79.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.633 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -45.26 -50.98 11.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.86 -23.61 45.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.53 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 2.3 mm-40 -89.72 -42.24 11.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 75' ' ' GLY . 68.5 m -91.91 -62.79 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.633 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.3 t30 -39.72 -36.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -51.51 66.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.6 pt-20 -96.84 5.92 49.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.73 -169.58 12.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 4.0 mm -93.04 163.04 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.488 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -54.66 99.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.57 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.605 ' CG1' ' CD2' ' A' ' 80' ' ' HIS . 75.7 t -134.77 134.82 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.547 HD11 ' O ' ' A' ' 14' ' ' GLU . 26.1 pt -108.19 48.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.605 ' CD2' ' CG1' ' A' ' 78' ' ' VAL . 6.8 m-70 -87.43 167.62 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.627 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.665 ' O ' HD13 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -122.66 166.11 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t -54.98 -28.69 53.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.465 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 18.5 mt -69.52 -44.84 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.637 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -76.46 -33.19 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 81' ' ' ASP . 5.7 mp -60.16 -40.83 91.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.404 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -63.31 -43.8 96.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -71.22 -51.16 26.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.069 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.637 HD22 ' CG2' ' A' ' 84' ' ' THR . 5.4 mp -58.17 -49.25 77.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 93' ' ' ALA . 71.6 mt -61.85 -49.26 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.1 -35.88 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -74.6 -43.65 54.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.581 ' HD2' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -85.21 0.78 50.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -177.8 80.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 t -78.97 3.21 17.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.189 . . . . 0.0 110.035 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -87.1 -78.81 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.6 ' CB ' HG21 ' A' ' 116' ' ' ILE . 1.0 OUTLIER -106.14 110.7 23.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.422 1.076 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.7 OUTLIER -116.03 172.48 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.9 p -95.37 140.42 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.21 -171.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.572 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -146.34 118.41 8.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.31 149.56 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.845 HG13 ' N ' ' A' ' 57' ' ' GLY . 2.0 t -127.48 65.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.9 -43.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.0 t -129.99 176.31 8.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.518 ' O ' HD23 ' A' ' 120' ' ' LEU . 67.5 t0 -101.66 136.5 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.383 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.531 ' CD1' ' HG ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -148.61 135.21 19.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 60.2 mt-10 -104.65 145.08 30.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.629 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -139.4 140.91 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.426 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -157.08 165.05 33.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.739 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -144.76 166.34 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.484 ' N ' HG13 ' A' ' 110' ' ' VAL . 82.7 p -114.93 -26.99 7.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.76 -50.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.329 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.494 ' OD1' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 159.26 -24.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.33 -75.23 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.719 ' O ' HG22 ' A' ' 110' ' ' VAL . 15.7 tt0 -78.71 153.04 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 0.713 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.739 HG22 HG23 ' A' ' 110' ' ' VAL . 1.2 pp -135.36 167.1 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 116' ' ' ILE . 1.9 pp -132.48 140.33 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 15.0 p -133.69 154.44 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -173.33 124.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.531 ' HG ' ' CD1' ' A' ' 106' ' ' PHE . 3.4 mp -81.43 51.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.9 t30 61.38 140.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.576 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLN . 80.8 p -71.59 61.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.704 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER 38.37 52.69 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -69.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -136.75 -89.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.8 mt -75.43 -0.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.704 ' HB3' ' HA ' ' A' ' 8' ' ' GLN . . . -44.4 -38.79 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -57.68 10.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 18' ' ' THR . 0.3 OUTLIER -55.17 -34.74 64.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -61.9 -53.79 50.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.064 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -52.68 -35.87 56.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 m -77.64 -27.33 51.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 110.44 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -84.35 174.99 9.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.498 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.515 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 20.6 ptt180 168.89 -43.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.614 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.7 OUTLIER 41.92 33.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 48.25 23.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.757 ' O ' HG12 ' A' ' 22' ' ' VAL . 33.2 t -93.67 61.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 1.5 t 89.37 -38.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 34.53 52.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.519 HD12 ' HG ' ' A' ' 88' ' ' LEU . 63.3 mt -49.11 -23.86 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.576 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 18.4 mp0 -72.96 -57.89 3.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.429 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 2.0 mmp_? -62.76 -34.18 76.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -65.56 -62.84 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.788 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.788 ' N ' HD22 ' A' ' 40' ' ' LEU . 22.6 t70 -73.94 -54.72 7.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -47.74 -39.87 18.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -78.26 -35.02 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG3' ' CG ' ' A' ' 92' ' ' LYS . 1.5 ttmt -52.67 -34.3 51.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' LEU . 46.6 t -48.87 -47.21 43.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 43' ' ' VAL . 1.7 mt -39.7 -58.14 1.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 60.6 55.82 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.6 p -90.05 146.54 35.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.929 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.62 35.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.5 t -148.22 161.5 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 52' ' ' ILE . 31.0 ttp85 -158.47 141.69 14.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.805 HG22 HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -163.02 148.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.371 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.805 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -99.58 148.2 24.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.55 ' HB2' HD11 ' A' ' 108' ' ' ILE . 51.6 t -108.83 127.28 53.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 108.258 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.805 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -115.3 -173.63 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.23 128.35 24.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.36 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.72 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -49.68 -34.57 21.32 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -57.51 -20.22 29.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -114.45 8.23 16.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.115 . . . . 0.0 110.439 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 9.9 tp -52.41 -41.09 62.9 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.772 ' HA ' HD12 ' A' ' 64' ' ' ILE . 11.8 p-10 -58.0 -47.69 82.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 4.1 tt0 -73.78 -41.53 62.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -56.56 -26.41 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 61' ' ' ASP . 12.8 mt -64.97 -48.97 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.895 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -62.35 -34.1 76.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.545 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 8.9 mmt180 -75.49 -35.42 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.805 HD22 HG22 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -71.28 -42.55 68.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.895 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -46.43 -44.43 17.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.2 mm-40 -54.25 -26.29 27.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.547 ' HB2' HG23 ' A' ' 52' ' ' ILE . 8.1 mm-40 -94.57 -41.75 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -83.8 -66.27 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.5 t30 -40.43 -28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.412 1.07 . . . . 0.0 109.222 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -70.53 -52.8 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 71' ' ' SER . 69.5 mm-40 -73.31 -34.62 65.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 72' ' ' ASN . . . -103.18 -168.2 25.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 1.001 ' O ' HG23 ' A' ' 78' ' ' VAL . 7.4 mm -91.8 162.34 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.465 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 3.8 t-160 -49.69 99.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.583 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 76' ' ' ILE . 25.4 t -130.74 144.65 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.525 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -112.32 50.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.782 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -86.65 138.61 31.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.522 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.699 ' H ' HD11 ' A' ' 15' ' ' LEU . 71.1 m-20 -88.63 162.68 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -27.75 38.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.554 HG23 ' NH1' ' A' ' 100' ' ' ARG . 9.8 mt -75.73 -35.69 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.672 HG22 HD22 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -80.06 -33.95 38.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.426 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.579 HD11 ' CG ' ' A' ' 80' ' ' HIS . 4.0 mp -56.27 -43.37 78.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.444 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -61.75 -41.52 97.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -71.7 -52.77 16.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.672 HD22 HG22 ' A' ' 84' ' ' THR . 4.7 mp -59.11 -36.58 75.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 93' ' ' ALA . 72.1 mt -73.4 -46.31 49.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 94' ' ' SER . 4.1 mtt180 -41.66 -41.27 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -40.94 96.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.19 0.79 56.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.71 ' HB2' ' CB ' ' A' ' 113' ' ' ASP . . . -175.77 81.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.373 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 90' ' ' ARG . 59.9 p -78.14 0.39 25.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -91.25 -80.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.594 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.487 ' CB ' HG21 ' A' ' 116' ' ' ILE . 9.4 mtt180 -100.42 109.87 22.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 110.221 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.533 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.7 OUTLIER -117.36 171.78 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.533 ' H ' HG22 ' A' ' 97' ' ' ILE . 3.4 p -95.66 122.71 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -84.92 175.24 9.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.574 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.554 ' NH1' HG23 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -142.09 100.49 3.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.147 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.1 p -106.73 149.54 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.72 HG23 ' N ' ' A' ' 57' ' ' GLY . 14.5 p -123.84 86.37 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.25 -37.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.13 176.46 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -103.89 134.91 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.774 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -149.42 136.09 19.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 111.059 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 13.2 mt-10 -103.1 146.6 28.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.609 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -138.67 143.02 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -152.23 163.08 30.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.738 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -153.19 162.09 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 0.769 . . . . 0.0 109.358 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.419 ' N ' HG13 ' A' ' 110' ' ' VAL . 80.6 p -112.82 -25.86 8.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -147.23 -52.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.71 ' CB ' ' HB2' ' A' ' 93' ' ' ALA . 0.2 OUTLIER 163.04 -27.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.91 -73.68 1.02 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.6 pm0 -78.77 136.64 37.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 0.778 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.738 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.0 OUTLIER -131.35 171.51 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 1.0 OUTLIER -133.29 146.73 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.564 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.26 153.63 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -173.99 122.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.774 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.7 mp -82.54 50.6 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.597 ' CG ' ' O ' ' A' ' 120' ' ' LEU . 6.8 p30 56.91 143.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.628 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 p -83.94 -44.81 13.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 176.62 64.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.836 ' HG2' HD12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -81.57 -76.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -158.17 -78.3 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' ALA . 13.7 mt -66.37 -7.0 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.99 -37.95 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 11.6 ptp180 -57.15 -53.83 53.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 13' ' ' ARG . 2.6 tt0 -59.62 -30.1 68.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 18' ' ' THR . 7.3 mp -70.29 -49.86 45.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -54.74 -34.74 62.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.8 m -78.83 -27.97 44.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -68.68 -170.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.585 ' N ' HG23 ' A' ' 18' ' ' THR . 0.3 OUTLIER 84.88 122.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.9 56.45 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.39 1.056 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 72.73 20.95 3.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.792 HG13 ' N ' ' A' ' 23' ' ' SER . 3.1 p -93.18 -146.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.359 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.792 ' N ' HG13 ' A' ' 22' ' ' VAL . 9.0 p -49.12 -61.08 2.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 37.78 55.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' A' ' 88' ' ' LEU . 96.7 mt -51.8 -27.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.386 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.628 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 14.4 pt-20 -72.95 -50.68 22.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 19' ' ' ARG . 2.3 ttt85 -60.89 -43.44 98.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -60.39 3.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.6 1.187 . . . . 0.0 109.328 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.854 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.854 ' N ' HD22 ' A' ' 40' ' ' LEU . 18.9 t70 -66.88 -57.0 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -52.98 -31.92 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -81.15 -27.63 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.607 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -67.06 -35.04 78.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.607 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 34.6 t -56.95 -42.4 80.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.084 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 46' ' ' LEU . 1.4 mt -38.35 -49.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.472 ' CE ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER 67.81 62.51 0.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 p -101.22 129.93 26.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.426 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.3 Cg_endo -74.96 151.28 39.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.641 HG13 ' OE2' ' A' ' 74' ' ' GLU . 41.2 t -152.31 145.45 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 131.72 26.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.746 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -151.51 147.58 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.696 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -96.5 148.66 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.641 ' CB ' HD11 ' A' ' 108' ' ' ILE . 19.3 t -112.66 126.34 55.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.64 1.213 . . . . 0.0 108.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.696 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -113.61 -173.48 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -52.21 127.07 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.837 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -47.54 -25.21 3.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.92 -35.34 79.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -100.11 8.46 43.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.369 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.726 HD22 ' HD3' ' A' ' 100' ' ' ARG . 10.0 tp -50.06 -40.42 45.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.678 ' HA ' HD12 ' A' ' 64' ' ' ILE . 5.8 p-10 -58.17 -49.67 76.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -72.42 -41.2 66.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.6 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -54.99 -31.54 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.222 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 61' ' ' ASP . 11.8 mt -63.08 -44.83 99.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.635 1.209 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.608 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -61.64 -40.71 95.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -72.16 -35.1 68.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.746 HD13 ' HB ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -64.29 -50.37 68.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.608 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.88 -44.24 29.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 2.8 mm-40 -58.07 -24.13 57.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.366 1.042 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.492 ' HB2' HG23 ' A' ' 52' ' ' ILE . 5.8 mm-40 -93.09 -40.62 10.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' GLY . 65.7 m -87.61 -65.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.5 t30 -39.21 -35.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -58.59 -52.42 65.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.216 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.641 ' OE2' HG13 ' A' ' 50' ' ' VAL . 15.8 pt-20 -93.76 6.42 48.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -127.0 -173.28 13.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.8 tp -92.42 162.75 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.4 ' N ' HG13 ' A' ' 76' ' ' ILE . 2.2 t-80 -47.55 99.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.625 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.53 HG13 ' CD2' ' A' ' 80' ' ' HIS . 1.8 t -134.98 138.45 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.414 ' CD1' ' HG2' ' A' ' 14' ' ' GLU . 12.0 pt -125.94 50.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.53 ' CD2' HG13 ' A' ' 78' ' ' VAL . 54.5 m-70 -87.64 164.41 16.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.634 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.735 ' O ' HD13 ' A' ' 85' ' ' LEU . 96.6 m-20 -98.06 172.82 7.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -29.3 66.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.836 HD12 ' HG2' ' A' ' 9' ' ' LYS . 8.6 mt -74.85 -33.69 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.561 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -74.98 -36.51 62.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.735 HD13 ' O ' ' A' ' 81' ' ' ASP . 6.0 mp -58.4 -40.7 83.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.0 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.14 -51.09 26.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.633 ' HA ' HD12 ' A' ' 25' ' ' ILE . 5.6 mp -59.04 -49.84 76.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.62 ' O ' ' N ' ' A' ' 93' ' ' ALA . 54.4 mt -61.5 -51.62 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.478 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 2.8 mtt180 -38.47 -34.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.488 ' HB2' HD13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -69.11 -48.21 63.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -90.18 1.69 56.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.683 ' HB2' ' CG ' ' A' ' 113' ' ' ASP . . . -163.52 75.16 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.9 p -81.38 6.48 14.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.52 1.138 . . . . 0.0 110.048 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -95.27 -79.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.607 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.48 112.25 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.559 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -115.73 171.98 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.559 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.3 p -88.48 132.93 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -89.84 167.09 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.53 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.726 ' HD3' HD22 ' A' ' 60' ' ' LEU . 7.5 tmm_? -141.88 100.67 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.3 p -109.43 149.6 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.837 HG23 ' N ' ' A' ' 57' ' ' GLY . 8.4 p -123.06 84.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -176.7 -38.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.23 176.55 8.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -103.06 136.98 41.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.736 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.73 138.07 17.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.595 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 44.8 mt-10 -103.64 146.62 28.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.641 HD11 ' CB ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -138.01 141.03 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.617 1.198 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.31 162.67 29.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.538 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.6 OUTLIER -148.87 161.4 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.413 ' N ' HG13 ' A' ' 110' ' ' VAL . 30.9 p -115.13 -23.26 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 110.355 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.14 -50.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.683 ' CG ' ' HB2' ' A' ' 93' ' ' ALA . 3.8 m-20 158.04 -23.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.38 -72.43 1.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 110' ' ' VAL . 12.1 mt-10 -80.04 139.3 36.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.538 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -128.22 168.12 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 116' ' ' ILE . 1.0 OUTLIER -132.3 140.95 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.595 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -130.06 153.84 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 2.0 t70 -172.11 121.15 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.736 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.8 mp -81.73 51.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.1 t-20 61.37 138.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.611 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -60.9 2.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -170.12 58.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -75.74 -78.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -148.49 -82.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.473 ' O ' HD13 ' A' ' 15' ' ' LEU . 12.3 mt -75.55 -0.13 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.25 -45.86 17.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -52.43 -48.88 65.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 1.9 tt0 -64.51 -26.67 68.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.74 ' O ' HG22 ' A' ' 18' ' ' THR . 10.1 mp -81.08 -25.62 36.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.46 -42.21 65.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 t -71.0 -27.74 63.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -72.35 160.95 31.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.64 ' CG ' ' HB2' ' A' ' 24' ' ' ALA . 1.5 ttm-85 179.25 -59.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.751 ' HB3' HG23 ' A' ' 22' ' ' VAL . 42.0 tp60 46.81 35.21 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 52.52 21.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.751 HG23 ' HB3' ' A' ' 20' ' ' GLN . 87.8 t -71.74 -110.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.646 ' N ' HG12 ' A' ' 22' ' ' VAL . 21.6 p -84.1 -40.3 18.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.64 ' HB2' ' CG ' ' A' ' 19' ' ' ARG . . . 39.09 48.95 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 56.5 mt -74.23 -22.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.611 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 2.6 tt0 -74.0 -53.47 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.496 ' CB ' ' NH2' ' A' ' 19' ' ' ARG . 3.2 mmt180 -67.35 -45.79 75.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 10.6 mmtt -59.4 -57.96 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.855 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.855 ' N ' HD22 ' A' ' 40' ' ' LEU . 23.2 t70 -63.47 -52.07 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 1.3 t80 -61.54 -30.08 70.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.1 t -80.65 -22.26 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.495 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -75.86 -41.42 52.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 33.3 t -60.4 -32.71 71.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.3 mt -38.06 -51.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.597 ' HE2' HH21 ' A' ' 112' ' ' ARG . 0.0 OUTLIER 70.84 67.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 60.1 m -118.57 134.21 23.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.068 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.482 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.0 Cg_endo -75.0 156.03 42.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.482 HG23 ' C ' ' A' ' 49' ' ' PRO . 85.3 t -155.55 159.73 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 52' ' ' ILE . 9.9 ttt180 -156.62 139.63 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.247 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.637 ' CG2' HD22 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -163.77 148.6 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.839 ' O ' HD21 ' A' ' 67' ' ' LEU . 2.7 tt -99.88 141.21 33.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.535 ' CB ' HD11 ' A' ' 108' ' ' ILE . 10.9 t -114.06 139.38 49.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.587 ' HG2' HD21 ' A' ' 53' ' ' LEU . 1.4 mtt180 -119.56 -171.76 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 110.253 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.547 ' HB3' HG23 ' A' ' 102' ' ' VAL . 7.6 mtm180 -50.47 138.2 17.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.17 -21.29 1.74 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.447 1.092 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 59' ' ' THR . 2.4 t0 -66.57 -78.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.773 HG23 HD13 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -60.19 -7.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.445 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.429 HD21 ' CG1' ' A' ' 83' ' ' ILE . 4.8 tp -47.85 -41.02 23.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.834 ' HA ' HD12 ' A' ' 64' ' ' ILE . 8.3 p-10 -53.96 -50.04 67.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.14 -35.37 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.773 HD13 HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -62.87 -24.1 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.237 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' A' ' 61' ' ' ASP . 6.3 mt -64.65 -47.93 86.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.955 ' HA ' HD23 ' A' ' 68' ' ' LEU . 4.1 pttt -67.23 -33.87 76.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.514 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 4.3 mtp180 -74.33 -34.9 63.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.839 HD21 ' O ' ' A' ' 53' ' ' LEU . 29.3 mt -71.63 -44.26 64.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.955 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -46.97 -44.61 20.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -55.58 -24.44 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.504 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.3 mm-40 -93.3 -42.37 9.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -85.74 -66.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.0 t30 -40.12 -30.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -58.32 -54.58 45.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -83.43 3.69 30.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.53 -173.2 13.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.413 1.071 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 6.2 mm -91.64 163.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.496 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 36.3 t-80 -48.8 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.633 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.75 HG21 HG11 ' A' ' 22' ' ' VAL . 12.7 t -135.66 144.54 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 pt -118.06 51.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.476 ' H ' HG12 ' A' ' 78' ' ' VAL . 4.8 m-70 -87.23 166.77 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.63 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.7 ' N ' HD21 ' A' ' 15' ' ' LEU . 6.8 m-20 -117.13 163.29 16.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 m -58.54 -32.34 68.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.429 ' CG1' HD21 ' A' ' 60' ' ' LEU . 4.4 mt -69.87 -39.97 78.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.747 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -73.66 -35.12 65.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.368 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 81' ' ' ASP . 5.4 mp -60.07 -37.93 81.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.55 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -61.91 -47.0 86.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -50.09 36.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.747 HD22 ' CG2' ' A' ' 84' ' ' THR . 4.2 mp -56.63 -50.34 72.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.612 ' O ' ' N ' ' A' ' 93' ' ' ALA . 67.7 mt -60.45 -51.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.467 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -38.02 -34.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -46.9 64.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -90.0 0.63 57.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.689 ' HB2' ' CG ' ' A' ' 113' ' ' ASP . . . -167.15 77.62 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.1 t -80.3 5.08 15.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -88.29 -86.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.565 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.81 110.75 22.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 110.298 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.55 HG21 ' O ' ' A' ' 86' ' ' ALA . 0.7 OUTLIER -115.89 172.22 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.687 HG23 HG12 ' A' ' 108' ' ' ILE . 2.1 p -94.8 146.76 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.68 -170.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.612 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.4 121.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.3 p -129.8 148.61 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 102' ' ' VAL . 12.9 p -96.45 84.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.434 ' N ' ' HG2' ' A' ' 56' ' ' ARG . 7.4 tttt -162.46 -52.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 t -135.73 176.62 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.739 ' O ' HD23 ' A' ' 120' ' ' LEU . 59.3 t0 -96.88 146.53 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.894 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.65 137.96 17.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.629 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 92.5 mt-10 -101.03 142.6 32.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.687 HG12 HG23 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -135.07 137.64 50.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.07 152.74 24.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 1.044 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -138.74 171.64 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.552 ' N ' HG13 ' A' ' 110' ' ' VAL . 4.8 p -118.46 -28.74 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 110.479 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.597 HH21 ' HE2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -149.69 -46.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.689 ' CG ' ' HB2' ' A' ' 93' ' ' ALA . 2.8 m-20 155.52 -21.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.48 -76.95 0.69 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.569 1.168 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.718 ' O ' HG22 ' A' ' 110' ' ' VAL . 19.9 tt0 -78.63 153.51 31.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 110.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 1.044 HG22 HG23 ' A' ' 110' ' ' VAL . 2.8 pp -136.44 164.86 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.365 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.5 pt -134.48 140.49 45.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.629 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -132.67 153.62 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.234 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -172.15 120.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.894 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 3.2 mp -82.07 51.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 4.4 t30 61.38 141.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.725 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' GLN . 10.5 t -76.93 71.68 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 1.8 mt-30 38.76 67.19 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.939 ' HD2' HG21 ' A' ' 83' ' ' ILE . 4.2 mttp -83.23 -76.17 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.84 -81.88 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.746 ' O ' HD13 ' A' ' 15' ' ' LEU . 7.2 mt -88.33 13.66 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.658 ' HB3' ' HA ' ' A' ' 8' ' ' GLN . . . -49.63 -39.63 36.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -54.59 -58.4 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.662 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -60.44 -24.42 65.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 11' ' ' ILE . 10.5 mp -71.29 -59.84 2.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -50.39 -33.19 19.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.7 m -70.87 -27.47 63.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.453 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.3 t -84.63 169.5 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.504 ' CB ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 164.2 -40.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.701 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.1 tp60 48.22 23.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.242 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 42.1 27.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 20' ' ' GLN . 33.9 t -123.66 4.91 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -156.46 -88.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . . . 39.82 62.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.845 HD12 ' HG ' ' A' ' 88' ' ' LEU . 40.3 mt -69.99 -23.47 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.725 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -73.79 -39.94 63.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.1 mmt-85 -70.58 -53.87 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -56.36 22.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.848 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.848 ' N ' HD22 ' A' ' 40' ' ' LEU . 9.1 t70 -66.46 -55.79 14.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -54.0 -35.35 61.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -79.26 -25.59 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -33.79 73.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' LEU . 46.6 t -59.29 -39.11 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.3 mt -39.42 -49.51 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.378 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.746 ' HE2' HH21 ' A' ' 112' ' ' ARG . 0.0 OUTLIER 68.24 64.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.34 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.9 p -105.37 140.41 21.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.481 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -74.99 160.28 40.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 110.993 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.678 HG13 ' OE2' ' A' ' 74' ' ' GLU . 67.3 t -155.27 148.41 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttp85 -146.38 137.88 24.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.277 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.702 ' CG2' HD22 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -156.12 147.64 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.729 ' O ' HD21 ' A' ' 67' ' ' LEU . 9.0 tt -95.47 149.09 21.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.914 ' HB2' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -116.62 136.79 52.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 108.289 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' HB2' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -120.95 -172.94 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -51.36 131.14 28.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.629 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -50.48 -20.44 3.76 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.085 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.487 ' H ' HG23 ' A' ' 102' ' ' VAL . 8.0 t0 -72.35 -35.86 68.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 0.784 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -102.05 10.0 39.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.576 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 14.2 tp -56.0 -40.85 73.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 62' ' ' GLU . 8.5 p-10 -56.39 -49.45 74.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -72.18 -42.05 66.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.52 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -55.62 -35.15 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.764 HD11 ' OG ' ' A' ' 82' ' ' SER . 0.6 OUTLIER -61.74 -38.75 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.764 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -64.25 -43.32 95.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.09 -34.02 68.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.729 HD21 ' O ' ' A' ' 53' ' ' LEU . 25.8 mt -67.75 -45.68 74.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -46.05 -45.37 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.416 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.5 mm-40 -55.38 -24.92 32.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 67' ' ' LEU . 8.8 mm-40 -94.25 -42.08 9.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.566 ' OG ' HD13 ' A' ' 52' ' ' ILE . 66.4 m -84.35 -67.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.913 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 68' ' ' LEU . 4.0 t30 -39.74 -30.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -63.27 -56.1 19.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.678 ' OE2' HG13 ' A' ' 50' ' ' VAL . 10.7 pt-20 -83.73 0.99 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.58 -169.37 12.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.532 HG23 HG23 ' A' ' 78' ' ' VAL . 8.5 tp -91.86 154.21 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -51.92 99.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.595 HG11 ' CD2' ' A' ' 80' ' ' HIS . 83.2 t -134.24 144.19 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.662 HD11 ' O ' ' A' ' 14' ' ' GLU . 10.5 pt -113.38 51.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.679 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 4.5 m-70 -88.96 167.58 13.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.559 ' OD1' HD11 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -115.21 170.07 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.764 ' OG ' HD11 ' A' ' 64' ' ' ILE . 4.5 m -63.98 -32.38 73.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.939 HG21 ' HD2' ' A' ' 9' ' ' LYS . 7.1 mt -68.85 -38.1 78.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.552 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -79.48 -33.48 42.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.529 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -58.36 -35.52 72.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.24 92.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -70.79 -50.1 39.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.845 ' HG ' HD12 ' A' ' 25' ' ' ILE . 2.4 mp -60.71 -44.27 96.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.529 ' CG1' ' O ' ' A' ' 85' ' ' LEU . 4.3 mm -65.84 -46.08 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.485 ' NH1' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -42.86 -35.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 92' ' ' LYS . 0.4 OUTLIER -72.19 -36.93 69.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.776 ' HD2' HD23 ' A' ' 40' ' ' LEU . 2.3 mmtt -88.95 -6.41 57.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -171.68 79.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 90' ' ' ARG . 83.7 p -73.1 -2.59 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -85.67 -75.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.615 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.88 116.43 31.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.604 1.19 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.571 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -119.4 172.32 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.601 1.188 . . . . 0.0 109.271 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.571 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.5 p -86.42 149.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -152.83 166.44 32.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.461 ' NE ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -173.32 157.38 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 0.0 110.299 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.7 p -125.38 150.45 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 102' ' ' VAL . 9.9 p -87.71 88.68 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.2 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.66 176.37 8.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.412 ' OD1' HD21 ' A' ' 53' ' ' LEU . 11.1 t70 -96.12 162.82 13.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -178.31 135.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 16.2 mt-10 -105.9 151.87 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.914 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -141.05 143.19 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.462 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -160.17 166.03 35.03 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 1.119 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -147.5 169.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.584 0.814 . . . . 0.0 109.334 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.477 ' N ' HG13 ' A' ' 110' ' ' VAL . 4.2 p -115.51 -24.61 8.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.746 HH21 ' HE2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -155.25 -45.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 158.03 -23.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.84 -71.88 1.24 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.697 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -77.85 141.46 39.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 0.803 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 1.119 HG22 HG23 ' A' ' 110' ' ' VAL . 1.8 pp -128.84 161.7 37.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.462 HD11 ' HA3' ' A' ' 109' ' ' GLY . 2.7 pp -132.76 140.94 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -137.76 152.81 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.246 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.511 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 6.5 t0 -175.42 121.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.736 ' H ' HD23 ' A' ' 120' ' ' LEU . 2.2 pt? -97.42 39.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.37 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 120' ' ' LEU . 11.4 t-20 61.35 141.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.002 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.694 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 m -139.13 -51.88 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 0.0 109.963 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -139.8 49.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -81.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -163.74 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.45 HG22 ' CB ' ' A' ' 14' ' ' GLU . 9.1 mt -82.78 11.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.16 -32.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -57.8 11.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' CB ' HG22 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -60.12 -24.04 64.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.773 ' O ' HG22 ' A' ' 18' ' ' THR . 4.6 mp -74.23 -56.8 4.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -52.48 -29.11 23.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 10.3 m -81.87 -27.47 33.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.773 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.4 t -73.06 -174.4 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER 85.35 120.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.48 62.47 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.62 24.96 6.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.788 HG13 ' N ' ' A' ' 23' ' ' SER . 4.1 p -94.79 -143.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.788 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -41.68 -58.42 1.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.026 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 27' ' ' ARG . . . 37.08 56.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.604 HD12 ' HG ' ' A' ' 88' ' ' LEU . 23.2 mt -65.02 -28.95 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.694 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -71.48 -40.56 70.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.627 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -69.72 -44.57 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -61.84 2.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.316 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 92' ' ' LYS . 2.5 pt? . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.88 -57.12 9.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -52.5 -32.7 41.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.604 1.19 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -82.41 -23.36 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -69.07 -43.1 75.28 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 28.4 t -49.75 -42.21 45.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -38.11 -54.71 1.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 mttt 65.62 60.63 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.3 p -94.89 135.71 23.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.454 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.5 Cg_endo -75.04 151.08 38.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.454 HG23 ' C ' ' A' ' 49' ' ' PRO . 58.9 t -153.57 145.95 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 -143.78 134.42 24.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.577 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -154.02 149.7 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.704 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.5 OUTLIER -99.83 144.27 29.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.544 ' CB ' HD11 ' A' ' 108' ' ' ILE . 17.1 t -108.86 127.86 54.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 108.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.704 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -112.42 -173.77 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -52.51 128.2 25.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.239 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.79 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -50.26 -29.94 16.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.45 1.094 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.73 -21.04 60.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -113.17 6.94 17.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.448 HD11 ' HG3' ' A' ' 100' ' ' ARG . 7.4 tp -50.39 -41.79 52.52 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.57 1.169 . . . . 0.0 109.228 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.868 ' HA ' HD12 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -55.15 -49.99 70.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.441 1.088 . . . . 0.0 109.235 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.66 -37.62 65.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.565 HG23 ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -61.0 -25.3 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' A' ' 61' ' ' ASP . 8.5 mt -63.62 -50.4 78.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.595 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.2 ptpt -64.71 -33.46 76.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 4.5 mmt85 -73.83 -34.34 64.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.266 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.577 HD23 ' CG2' ' A' ' 52' ' ' ILE . 23.9 mt -66.79 -50.5 62.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.611 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -46.92 -45.97 20.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.64 -23.47 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.503 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.1 mm-40 -92.65 -40.3 10.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 74' ' ' GLU . 11.5 m -89.18 -64.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 68' ' ' LEU . 13.5 t30 -38.8 -34.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -53.64 55.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' SER . 4.9 pt-20 -90.74 5.46 48.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 1.186 . . . . 0.0 110.354 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.33 -172.44 13.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.589 1.18 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.8 tp -91.87 161.01 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.39 98.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.588 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.581 HG13 ' CD2' ' A' ' 80' ' ' HIS . 2.3 t -135.37 136.77 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.538 HD11 ' HB ' ' A' ' 18' ' ' THR . 5.2 pt -121.34 45.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.581 ' CD2' HG13 ' A' ' 78' ' ' VAL . 77.6 m-70 -88.38 166.25 14.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.618 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.656 ' OD1' HD11 ' A' ' 15' ' ' LEU . 12.4 m-20 -104.58 168.37 9.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 109.334 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p -63.19 -29.6 70.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.066 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.447 HD11 HD23 ' A' ' 60' ' ' LEU . 11.4 mt -72.74 -40.65 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.633 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -71.52 -34.85 70.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.348 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.589 HD13 ' O ' ' A' ' 81' ' ' ASP . 4.0 mp -60.17 -40.63 90.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.31 -44.0 92.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -71.35 -49.7 39.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.633 HD13 HG23 ' A' ' 84' ' ' THR . 6.5 mp -59.48 -49.82 76.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' A' ' 93' ' ' ALA . 73.8 mt -62.5 -51.45 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.178 . . . . 0.0 109.387 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.508 ' HG3' HG21 ' A' ' 97' ' ' ILE . 6.7 mtm180 -37.65 -34.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.52 ' HB3' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -68.81 -48.14 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.275 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.638 ' HB3' HD12 ' A' ' 40' ' ' LEU . 1.2 ptmt -91.11 1.08 57.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.627 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -160.57 73.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.0 p -79.58 3.29 19.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -91.66 -88.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.135 . . . . 0.0 109.575 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 114' ' ' GLY . 6.8 mtp180 -98.85 110.54 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.524 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -117.84 172.09 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.524 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.6 p -95.4 129.53 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -88.37 -174.84 4.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.637 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.448 ' HG3' HD11 ' A' ' 60' ' ' LEU . 7.3 tmm_? -152.4 100.68 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.4 p -105.71 149.63 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.79 HG23 ' N ' ' A' ' 57' ' ' GLY . 14.7 p -125.11 87.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.98 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 t -135.39 176.63 8.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.952 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.64 ' O ' HD23 ' A' ' 120' ' ' LEU . 1.9 t0 -98.6 138.58 35.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.801 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -153.86 137.66 16.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 48.9 mt-10 -104.78 146.14 29.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -140.47 140.2 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.45 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -157.04 167.0 33.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 1.08 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -147.26 168.16 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.507 ' N ' HG13 ' A' ' 110' ' ' VAL . 54.8 p -116.77 -26.72 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.447 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.41 -49.47 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.234 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 157.25 -22.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.51 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -76.07 -72.55 1.07 Allowed Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.746 ' O ' HG22 ' A' ' 110' ' ' VAL . 19.4 tp10 -78.81 154.8 29.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 0.73 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 1.08 HG22 HG23 ' A' ' 110' ' ' VAL . 2.2 pp -136.85 162.04 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.45 HD11 ' HA3' ' A' ' 109' ' ' GLY . 2.6 pp -132.5 140.3 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.592 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.83 153.69 30.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -172.85 124.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.801 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.6 mp -84.21 50.22 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 3.9 t-20 61.21 141.56 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.956 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.609 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 t 55.93 -84.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.068 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' TRP . 0.5 OUTLIER -160.76 69.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 tptt -83.58 -80.35 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -139.8 -76.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.4 mt -77.66 1.53 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.39 -35.27 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -56.43 21.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.328 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.924 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -56.18 -30.67 62.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.264 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.554 HD11 ' OD1' ' A' ' 81' ' ' ASP . 11.1 mp -71.63 -48.39 48.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -34.01 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.0 m -74.84 -28.73 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.14 134.46 36.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.521 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 2.6 ptt180 173.72 60.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -69.23 60.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.756 ' O ' HG23 ' A' ' 22' ' ' VAL . 11.9 t30 44.46 28.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 21' ' ' ASN . 1.9 t -165.12 124.23 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER 83.53 2.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.521 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . -76.55 59.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.669 HD12 ' HG ' ' A' ' 88' ' ' LEU . 6.1 mt -65.52 -27.15 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.609 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 59.5 mt-10 -71.56 -48.51 48.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.478 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -67.61 -51.34 51.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -51.67 59.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.833 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.833 ' N ' HD22 ' A' ' 40' ' ' LEU . 10.5 t70 -67.94 -56.43 9.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -52.78 -31.42 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -83.11 -26.63 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -65.18 -44.38 88.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 109.218 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.4 t -47.1 -45.63 22.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 46' ' ' LEU . 1.4 mt -39.05 -55.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.36 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 61.03 54.13 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -91.21 150.87 42.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.057 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.453 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.3 Cg_endo -75.01 147.69 34.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 49' ' ' PRO . 60.2 t -153.67 160.76 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 50' ' ' VAL . 7.6 ttt180 -160.72 134.07 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.569 ' HB ' HD22 ' A' ' 67' ' ' LEU . 1.1 pt -154.0 148.05 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.651 HD21 ' OD1' ' A' ' 105' ' ' ASP . 2.0 tp -100.15 148.17 24.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.462 ' HB3' HD11 ' A' ' 108' ' ' ILE . 2.4 t -107.79 130.21 54.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 108.265 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG3' ' CG1' ' A' ' 63' ' ' ILE . 3.8 mmm180 -113.87 -173.19 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' HG3' ' HB ' ' A' ' 59' ' ' THR . 4.9 ptt180 -52.1 128.41 24.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.669 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -53.78 -26.31 32.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.06 -29.97 70.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 0.731 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.419 ' HB ' ' HG3' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -105.54 7.57 32.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.541 HD12 HG21 ' A' ' 63' ' ' ILE . 11.5 tp -49.33 -41.18 37.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.847 ' HA ' HD12 ' A' ' 64' ' ' ILE . 6.9 p-10 -55.17 -49.48 71.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.39 -38.79 63.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.224 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.541 HG21 HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -59.35 -26.02 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.847 HD12 ' HA ' ' A' ' 61' ' ' ASP . 9.1 mt -63.48 -49.28 83.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.848 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -66.08 -33.63 76.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.469 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -73.43 -34.95 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.376 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.569 HD22 ' HB ' ' A' ' 52' ' ' ILE . 8.9 mt -68.89 -49.01 61.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.848 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -47.58 -44.49 26.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.22 -24.6 28.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.412 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.3 mm-40 -93.86 -41.16 9.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' GLU . 69.9 m -86.08 -67.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.042 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.3 t30 -39.82 -30.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.54 -53.64 55.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.9 pp20? -91.45 6.9 43.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.4 -169.61 12.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 76' ' ' ILE . 6.4 tp -91.8 163.49 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.561 0.801 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.68 99.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.647 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 80' ' ' HIS . 2.7 t -134.93 138.99 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.924 HD11 ' O ' ' A' ' 14' ' ' GLU . 1.3 pt -114.64 48.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.629 1.206 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.562 ' CE1' ' CD2' ' A' ' 88' ' ' LEU . 63.1 m170 -87.49 167.16 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.64 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.554 ' OD1' HD11 ' A' ' 15' ' ' LEU . 27.8 m-20 -110.91 172.09 7.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -66.61 -31.58 72.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.9 mt -71.12 -35.3 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.621 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -77.64 -33.71 53.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -59.22 -40.3 85.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.53 98.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -51.97 21.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.669 ' HG ' HD12 ' A' ' 25' ' ' ILE . 4.1 mp -57.86 -50.28 73.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.835 HD13 ' NH2' ' A' ' 96' ' ' ARG . 97.6 mt -62.47 -48.94 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.386 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.497 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 1.6 mtm-85 -39.3 -35.48 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.01 -43.71 52.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.59 ' CB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -85.46 -1.4 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.749 ' HB1' ' HG3' ' A' ' 96' ' ' ARG . . . -179.14 84.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.483 ' O ' HD11 ' A' ' 97' ' ' ILE . 19.3 t -69.33 -6.99 33.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -71.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.632 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.835 ' NH2' HD13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -78.72 104.57 9.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.497 ' CD1' ' HG2' ' A' ' 90' ' ' ARG . 3.7 mt -128.64 162.1 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.03 116.16 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -83.37 -174.06 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.567 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.42 109.58 1.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.247 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.7 p -107.2 149.45 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.669 HG23 ' N ' ' A' ' 57' ' ' GLY . 11.8 p -119.59 86.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -176.65 -42.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 t -135.89 176.71 8.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.651 ' OD1' HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -88.78 142.57 27.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.513 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 7.7 t80 -141.04 166.13 25.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.726 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -137.16 143.54 42.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.818 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -148.76 134.28 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.94 163.88 36.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.915 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -141.98 171.61 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.578 ' N ' HG13 ' A' ' 110' ' ' VAL . 49.4 p -117.66 -29.58 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.95 -47.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.6 OUTLIER 157.62 -21.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.87 -71.74 1.17 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.776 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.3 pt-20 -77.86 154.83 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.617 0.834 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.915 HG22 HG23 ' A' ' 110' ' ' VAL . 2.6 pp -139.08 159.5 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 18.0 pt -129.75 140.59 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.726 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -146.34 153.95 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 106' ' ' PHE . 1.8 t70 -161.22 176.08 11.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.72 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -113.0 1.63 15.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 120' ' ' LEU . 28.2 t-20 37.91 44.27 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.661 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.59 -47.03 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.48 51.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.777 ' HD2' HG21 ' A' ' 83' ' ' ILE . 10.1 mmtp -71.56 -77.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.428 ' CE ' ' HB3' ' A' ' 61' ' ' ASP . 3.9 ttmm -151.23 -86.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.606 HG22 ' HB3' ' A' ' 14' ' ' GLU . 7.6 mt -76.66 6.27 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.81 -34.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 11' ' ' ILE . 1.9 mmm180 -58.3 -57.49 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.81 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -59.11 -25.8 64.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.967 ' O ' HG22 ' A' ' 18' ' ' THR . 7.9 mp -72.19 -54.72 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 tptm -53.02 -32.13 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -71.29 -27.43 63.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.967 HG22 ' O ' ' A' ' 15' ' ' LEU . 4.3 t -80.66 -150.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.776 ' N ' HG23 ' A' ' 18' ' ' THR . 0.8 OUTLIER 79.92 49.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -66.94 70.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.9 t30 51.58 31.72 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.598 HG11 ' CG2' ' A' ' 76' ' ' ILE . 2.2 t -156.28 122.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.243 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 3.4 p 83.49 15.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.014 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.709 ' HB1' ' HG2' ' A' ' 27' ' ' ARG . . . -77.81 63.75 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.675 HD12 ' HG ' ' A' ' 88' ' ' LEU . 52.4 mt -78.68 -14.08 13.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.661 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 4.0 pm0 -76.65 -44.39 34.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.324 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.709 ' HG2' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -79.14 -37.63 38.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -52.98 43.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.409 HD13 HG12 ' A' ' 25' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -74.0 -55.01 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.399 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -47.4 -35.8 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.922 HG22 HD11 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -81.21 -37.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -49.59 -40.06 37.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 31.7 t -55.41 -18.14 6.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.922 HD11 HG22 ' A' ' 43' ' ' VAL . 8.5 mt -41.86 -34.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.774 ' HD2' HH21 ' A' ' 112' ' ' ARG . 9.8 ttpt 90.51 77.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 109.355 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.58 110.2 37.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.968 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.436 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -75.1 151.59 39.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.436 HG23 ' C ' ' A' ' 49' ' ' PRO . 57.7 t -153.14 161.14 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' N ' HG12 ' A' ' 50' ' ' VAL . 59.7 ttt180 -161.02 135.31 7.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.573 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -154.95 148.59 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.789 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -98.51 147.08 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.71 ' HB2' HD11 ' A' ' 108' ' ' ILE . 8.3 t -107.52 135.0 49.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.313 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.789 ' HG2' HD21 ' A' ' 53' ' ' LEU . 3.6 mmm180 -117.87 -174.47 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.44 ' CG ' ' HB ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -53.7 127.32 25.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.746 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -49.51 -31.24 14.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.85 -23.77 61.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -111.55 8.04 20.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.475 HD12 HG21 ' A' ' 63' ' ' ILE . 10.2 tp -49.53 -41.21 40.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.746 ' HA ' HD12 ' A' ' 64' ' ' ILE . 8.2 p-10 -56.21 -50.24 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -41.19 65.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.373 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.475 HG21 HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -55.44 -31.24 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 61' ' ' ASP . 10.3 mt -61.29 -47.51 93.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -61.1 -37.07 81.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.0 65.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.239 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.573 HD23 ' CG2' ' A' ' 52' ' ' ILE . 27.6 mt -63.44 -51.61 64.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -47.66 -47.02 29.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.542 ' N ' HD12 ' A' ' 68' ' ' LEU . 3.4 mm-40 -60.28 -22.1 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.486 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 2.6 mm-40 -93.32 -40.99 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 74' ' ' GLU . 12.7 m -88.9 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 68' ' ' LEU . 6.6 t-20 -39.51 -33.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.67 -51.17 68.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.5 pm0 -98.47 8.84 44.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.16 -169.79 12.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.598 ' CG2' HG11 ' A' ' 22' ' ' VAL . 7.2 mm -91.75 162.64 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 109.354 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.473 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -53.18 96.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.613 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.72 143.92 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.81 HD11 ' O ' ' A' ' 14' ' ' GLU . 4.9 pt -125.79 52.96 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 9.2 m-70 -86.92 167.42 14.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.612 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.793 ' O ' HD13 ' A' ' 85' ' ' LEU . 66.2 m-20 -107.45 163.7 12.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.9 t -59.27 -31.94 69.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.083 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.777 HG21 ' HD2' ' A' ' 9' ' ' LYS . 8.5 mt -70.83 -36.96 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.7 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -78.88 -29.94 44.7 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 81' ' ' ASP . 6.1 mp -61.88 -41.58 98.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.421 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -63.44 -43.31 97.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -71.38 -50.61 30.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.167 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.7 HD13 HG23 ' A' ' 84' ' ' THR . 6.3 mp -58.85 -49.13 78.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 92' ' ' LYS . 79.4 mt -62.59 -49.55 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 94' ' ' SER . 7.1 mtp180 -38.95 -35.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -44.26 70.91 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.57 1.169 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -87.87 -0.39 56.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.302 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -175.65 80.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.38 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 90' ' ' ARG . 32.3 p -79.96 3.51 19.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.059 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -89.17 -81.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.545 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.519 ' HB3' HG21 ' A' ' 116' ' ' ILE . 1.2 mtp85 -99.17 104.63 16.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -115.46 171.52 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 109.29 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.632 HG23 HG12 ' A' ' 108' ' ' ILE . 2.1 p -95.38 147.47 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.34 -168.87 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.618 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 5.0 ppt_? -154.35 106.98 2.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 p -107.25 149.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.746 HG23 ' N ' ' A' ' 57' ' ' GLY . 14.5 p -128.93 85.53 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.21 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.82 176.51 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.929 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.84 134.53 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 119' ' ' ASP . 0.2 OUTLIER -137.44 174.16 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 111.057 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.513 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 37.0 mt-10 -154.92 144.84 21.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.71 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -141.06 144.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.76 166.21 33.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.078 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -151.97 170.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.507 0.769 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.511 ' N ' HG13 ' A' ' 110' ' ' VAL . 3.3 p -115.5 -27.28 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.774 HH21 ' HD2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -153.16 -44.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.523 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 159.04 -22.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.93 -75.52 0.95 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.687 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -81.71 141.67 33.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 110.282 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.625 HG22 HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -133.75 170.84 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.8 pp -131.77 141.41 45.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 14.6 p -130.2 156.72 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 106' ' ' PHE . 2.6 t0 -162.46 162.09 27.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.226 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.719 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -105.18 8.68 34.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 120' ' ' LEU . 26.2 t-20 39.3 43.77 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.977 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.662 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.11 76.3 9.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.155 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 38.66 60.89 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HG2' HG21 ' A' ' 83' ' ' ILE . 4.1 tptt -74.44 -77.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -133.4 -92.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 12' ' ' ALA . 8.7 mt -76.0 3.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.73 -34.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -57.45 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.663 ' O ' HD11 ' A' ' 79' ' ' ILE . 3.0 tt0 -61.99 -22.82 65.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.185 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.98 HD11 ' OD2' ' A' ' 81' ' ' ASP . 10.4 mp -76.7 -40.69 47.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -65.55 -32.72 74.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -70.73 -28.49 64.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.414 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 15' ' ' LEU . 3.0 t -82.65 -150.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.344 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.797 ' N ' HG23 ' A' ' 18' ' ' THR . 2.5 ptt180 92.34 -24.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.608 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.4 tp60 35.01 46.68 0.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.7 m-20 36.28 32.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 20' ' ' GLN . 3.0 t -116.22 0.88 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.7 t -148.97 -88.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.061 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 47.02 60.31 3.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.707 HD12 ' HG ' ' A' ' 88' ' ' LEU . 96.3 mt -65.67 -21.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.662 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -73.99 -39.86 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.178 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -54.6 11.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -56.77 -55.65 31.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.607 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.491 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 8.5 t70 -76.56 -57.91 3.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -51.88 -36.82 49.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.66 -30.73 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -50.71 -48.93 58.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -41.67 -30.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 46' ' ' LEU . 9.2 mt -87.82 40.64 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -55.53 -54.16 47.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER 51.83 173.33 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 110.048 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.2 Cg_endo -75.02 117.68 4.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.44 146.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -160.5 135.45 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -142.95 147.64 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' O ' HD21 ' A' ' 67' ' ' LEU . 5.6 tt -94.59 147.36 23.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.765 ' HB2' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -113.04 128.61 56.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 1.083 . . . . 0.0 108.287 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HB2' ' CG1' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -117.57 -173.88 2.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.5 128.88 27.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.882 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -49.81 -25.38 7.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.095 . . . . 0.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.91 -26.35 65.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 0.811 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -106.28 7.95 31.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 tp -51.95 -42.79 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.812 ' HA ' HD12 ' A' ' 64' ' ' ILE . 2.9 p30 -54.5 -47.72 72.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -73.64 -40.78 63.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.594 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -60.15 -26.58 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 61' ' ' ASP . 7.1 mt -62.35 -51.73 68.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -61.31 -34.37 75.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.513 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 5.9 mmt180 -72.79 -34.34 66.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.232 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.594 ' CD2' HD12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -60.75 -50.8 72.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -46.61 -50.86 16.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.5 mm-40 -50.27 -24.41 2.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.6 mm-40 -94.28 -42.23 9.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -88.02 -65.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.026 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' A' ' 68' ' ' LEU . 1.8 t30 -39.49 -30.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.201 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -61.26 -55.18 34.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.7 pp20? -92.18 4.01 54.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -123.08 -173.07 13.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 9.0 tp -91.92 157.95 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.92 98.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.626 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.663 HG13 ' CD2' ' A' ' 80' ' ' HIS . 2.1 t -135.17 140.94 44.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.663 HD11 ' O ' ' A' ' 14' ' ' GLU . 23.6 pt -115.69 50.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.69 ' HB2' HD11 ' A' ' 85' ' ' LEU . 52.2 m170 -87.05 161.26 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.597 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.98 ' OD2' HD11 ' A' ' 15' ' ' LEU . 3.5 m-20 -111.89 162.52 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -33.1 68.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' A' ' 9' ' ' LYS . 39.6 mt -68.3 -40.65 82.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.738 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -77.94 -34.16 51.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 80' ' ' HIS . 5.2 mp -59.77 -41.37 90.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.56 80.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -71.24 -50.69 30.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.738 HD22 ' CG2' ' A' ' 84' ' ' THR . 6.3 mp -56.66 -37.41 70.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 93' ' ' ALA . 6.6 mm -73.46 -50.36 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.478 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 3.8 mtt85 -39.32 -35.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 1.8 mm-40 -69.03 -45.13 71.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.366 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.21 0.88 56.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.61 ' HB1' ' OD1' ' A' ' 113' ' ' ASP . . . -175.18 81.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.6 p -79.53 3.89 17.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -90.27 -86.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.666 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.657 ' HB3' HG21 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -93.19 104.15 16.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 110.265 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 98' ' ' VAL . 1.4 mp -111.87 171.17 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.543 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.9 p -100.7 149.26 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -124.13 -171.81 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.603 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.409 ' NE ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -148.12 135.75 20.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.2 p -117.62 149.55 19.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.882 HG13 ' N ' ' A' ' 57' ' ' GLY . 1.5 t -124.01 65.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.76 -43.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.163 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.7 t -132.85 176.35 8.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.52 135.17 33.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -131.67 170.36 14.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 45.8 mt-10 -152.17 142.61 22.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.765 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -142.39 141.04 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -155.3 162.6 31.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.876 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.6 OUTLIER -153.29 160.76 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.402 ' N ' HG13 ' A' ' 110' ' ' VAL . 78.9 p -113.79 -24.15 9.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.507 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -145.77 -52.01 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.61 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 2.0 t0 155.55 -23.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.357 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.9 -66.97 1.65 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.583 1.177 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.55 122.67 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.271 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.876 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.8 OUTLIER -116.76 169.12 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.763 ' N ' HD12 ' A' ' 116' ' ' ILE . 2.7 pp -132.16 141.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -131.19 153.87 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.73 166.85 26.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.712 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -112.93 3.55 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 120' ' ' LEU . 6.9 t-20 60.86 141.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.061 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.71 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.0 m -142.21 22.12 2.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.09 35.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.581 ' CD ' HG21 ' A' ' 83' ' ' ILE . 9.3 mmpt? -97.98 -89.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.95 -79.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mt -76.79 1.41 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.26 -35.28 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 -54.93 -57.36 11.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 17' ' ' THR . 3.7 tt0 -57.89 -39.57 78.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.771 ' CD2' HG21 ' A' ' 84' ' ' THR . 0.2 OUTLIER -62.05 -41.42 98.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -58.89 -43.01 90.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -65.23 -27.77 68.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -93.65 125.76 38.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.525 HH21 HD11 ' A' ' 88' ' ' LEU . 4.4 mtt180 159.09 50.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -69.4 58.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 75.8 m-20 57.07 28.06 14.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.629 ' O ' HG12 ' A' ' 22' ' ' VAL . 39.2 t -98.68 9.83 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER 171.65 -64.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.987 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 39.54 57.56 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.838 HD12 ' HG ' ' A' ' 88' ' ' LEU . 94.7 mt -75.83 -27.52 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.71 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 1.9 pp20? -65.78 -46.59 78.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.429 ' CG ' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -71.93 -52.3 17.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -44.06 74.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.864 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.864 ' N ' HD22 ' A' ' 40' ' ' LEU . 7.5 t70 -66.86 -56.49 10.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -50.57 -34.71 26.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 111.052 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.44 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -83.04 -22.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -65.87 -41.59 91.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 46.6 t -45.73 -44.95 14.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -37.54 -49.3 1.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.4 mttt 67.55 64.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.67 137.35 32.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 138.84 23.61 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.58 149.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.69 131.74 18.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 110.341 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.818 HG22 HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -153.85 148.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.8 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -98.91 148.46 23.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.453 ' CB ' HD11 ' A' ' 108' ' ' ILE . 2.6 t -111.51 124.58 52.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 108.247 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.8 ' HG2' HD21 ' A' ' 53' ' ' LEU . 2.0 mmm180 -112.63 -172.79 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.7 128.44 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.554 ' HA2' ' HB2' ' A' ' 60' ' ' LEU . . . -48.89 -33.94 14.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.57 -35.02 73.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -98.41 7.68 45.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.396 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.554 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 7.9 tp -56.18 -42.42 77.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.845 ' HA ' HD12 ' A' ' 64' ' ' ILE . 4.7 p-10 -53.77 -48.27 69.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.2 -39.98 62.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -61.87 -24.29 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.845 HD12 ' HA ' ' A' ' 61' ' ' ASP . 8.7 mt -64.38 -49.32 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.189 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 1.012 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -65.72 -34.64 78.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.364 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 2.7 mmt180 -72.86 -35.19 67.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.818 HD22 HG22 ' A' ' 52' ' ' ILE . 1.1 mt -72.29 -44.39 62.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.012 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.22 -46.12 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.6 mt-10 -55.06 -23.66 21.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.1 mm-40 -93.29 -40.82 10.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 73' ' ' LYS . 54.7 m -89.46 -66.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.967 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -39.73 -29.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -56.88 -53.44 57.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.2 pp20? -86.01 3.86 40.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.61 -172.78 14.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -90.89 163.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.806 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.487 ' N ' HD13 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -53.76 97.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.585 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.616 HG11 ' ND1' ' A' ' 80' ' ' HIS . 47.4 t -136.63 145.75 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.533 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -110.83 49.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.616 ' ND1' HG11 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -85.72 153.53 22.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.524 ' HA ' HG23 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -112.92 167.18 10.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.416 1.072 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 56.7 m -53.81 -25.81 21.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.029 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.581 HG21 ' CD ' ' A' ' 9' ' ' LYS . 10.8 mt -73.71 -45.1 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.772 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -78.48 -32.29 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.362 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.592 HD11 ' CD2' ' A' ' 80' ' ' HIS . 1.7 mp -57.72 -44.82 86.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.28 86.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CD1' ' NE1' ' A' ' 6' ' ' TRP . 0.3 OUTLIER -72.51 -50.27 27.05 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.558 1.161 . . . . 0.0 110.963 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.838 ' HG ' HD12 ' A' ' 25' ' ' ILE . 6.7 mp -64.66 -37.16 86.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 85' ' ' LEU . 51.9 mt -71.77 -49.46 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.468 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 5.8 mtt180 -39.36 -39.96 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.459 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 2.6 mm-40 -63.93 -43.68 95.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ILE . 2.3 ptmt -88.59 -0.99 57.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.618 ' HB2' ' CG ' ' A' ' 113' ' ' ASP . . . -169.2 79.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' ARG . 11.5 p -76.67 -0.45 23.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -84.77 -94.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -95.18 114.02 25.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.255 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.549 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -119.33 172.6 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.549 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.4 p -97.37 131.2 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.418 ' CG ' ' H ' ' A' ' 100' ' ' ARG . 4.2 t-160 -102.6 -176.57 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.622 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -148.01 110.75 4.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.3 p -106.52 150.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 102' ' ' VAL . 7.7 p -121.09 87.21 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.25 -42.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.5 p -135.57 176.33 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.731 ' O ' HD23 ' A' ' 120' ' ' LEU . 42.3 t0 -95.48 134.04 38.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.234 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.63 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -145.28 134.98 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.621 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 43.8 mt-10 -106.69 144.62 33.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.48 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -136.59 137.42 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -150.89 150.33 22.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.744 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.8 OUTLIER -141.21 158.24 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.1 p -116.04 -21.32 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.349 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -142.41 -54.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.618 ' CG ' ' HB2' ' A' ' 93' ' ' ALA . 6.1 m-20 154.02 -23.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.18 -68.87 1.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -86.88 135.32 33.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 0.794 . . . . 0.0 110.299 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.913 HD12 ' N ' ' A' ' 117' ' ' ILE . 0.6 OUTLIER -124.33 172.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.913 ' N ' HD12 ' A' ' 116' ' ' ILE . 1.5 pt -133.12 140.34 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.654 HG13 HD11 ' A' ' 116' ' ' ILE . 17.9 m -124.16 153.4 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -168.65 113.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.731 HD23 ' O ' ' A' ' 105' ' ' ASP . 1.8 mp -82.84 50.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' LEU . 51.4 t-20 39.65 43.66 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.66 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.36 67.28 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.545 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 0.3 OUTLIER 50.77 56.32 8.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.22 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -73.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -136.02 -85.56 0.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.68 HG22 ' HB2' ' A' ' 14' ' ' GLU . 8.6 mt -84.33 13.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.545 ' HB3' ' HA ' ' A' ' 8' ' ' GLN . . . -45.04 -32.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -57.21 -58.33 8.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.924 ' O ' HD11 ' A' ' 79' ' ' ILE . 3.0 mt-10 -59.91 -28.55 67.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.626 HD23 HG21 ' A' ' 84' ' ' THR . 7.2 mp -69.82 -47.09 64.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -57.57 -37.24 72.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 m -67.69 -28.83 68.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -88.94 127.09 35.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.364 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.794 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 6.4 ttp-105 176.38 37.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.45 71.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' ARG . 51.4 m-80 53.48 32.81 14.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.793 HG13 ' N ' ' A' ' 23' ' ' SER . 2.6 p -94.77 -147.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.793 ' N ' HG13 ' A' ' 22' ' ' VAL . 3.6 m -43.1 -55.45 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.794 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . . . 38.27 44.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 88' ' ' LEU . 98.0 mt -71.45 -20.25 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.66 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 11.0 pt-20 -73.15 -52.38 14.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.444 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -65.67 -45.7 81.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -60.39 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.83 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.83 ' N ' HD22 ' A' ' 40' ' ' LEU . 8.9 t70 -68.26 -56.26 9.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -52.11 -36.92 52.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -80.21 -24.45 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -36.62 82.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' LEU . 48.4 t -52.56 -43.37 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -38.28 -56.19 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER 66.37 61.61 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 m -103.65 141.25 22.11 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.495 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -75.03 160.07 40.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.495 HG23 ' C ' ' A' ' 49' ' ' PRO . 70.1 t -156.09 160.0 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.206 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.401 ' N ' HG12 ' A' ' 50' ' ' VAL . 10.5 ttt180 -155.62 130.3 9.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.833 ' HB ' HD22 ' A' ' 67' ' ' LEU . 4.9 pt -148.23 148.3 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.69 ' O ' HD21 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -102.57 142.74 33.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.56 ' CB ' HD11 ' A' ' 108' ' ' ILE . 41.1 t -109.63 134.42 51.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.241 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.46 ' CG ' HD21 ' A' ' 53' ' ' LEU . 5.3 mtm180 -118.32 -172.95 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -51.47 127.62 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.805 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -48.37 -29.93 7.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.12 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.31 -27.92 66.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 0.813 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -107.71 8.67 29.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.495 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 11.2 tp -50.4 -41.27 51.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.767 ' HA ' HD12 ' A' ' 64' ' ' ILE . 5.4 p-10 -56.96 -49.68 74.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -72.53 -40.55 66.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.251 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.1 -33.16 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' ' 61' ' ' ASP . 10.2 mt -59.75 -45.42 94.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -62.62 -37.81 87.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -35.35 66.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.833 HD22 ' HB ' ' A' ' 52' ' ' ILE . 11.3 mt -63.57 -51.33 65.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -47.71 -45.87 29.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 2.3 mm-40 -57.71 -23.4 51.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.626 ' HB2' HG22 ' A' ' 52' ' ' ILE . 5.9 mm-40 -93.19 -41.24 10.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 74' ' ' GLU . 68.2 m -87.3 -65.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.951 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.5 t30 -39.19 -30.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -61.76 -53.82 50.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.6 pt-20 -95.22 7.72 45.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.81 -171.84 13.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.3 tp -91.53 163.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -54.09 98.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 109.67 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.643 ' CG2' HG21 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -134.73 137.96 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.302 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.924 HD11 ' O ' ' A' ' 14' ' ' GLU . 2.0 pt -116.08 48.57 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 28.5 m170 -86.99 167.1 14.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.546 ' H ' HD21 ' A' ' 15' ' ' LEU . 75.7 m-20 -108.84 173.18 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.466 ' OG ' HD12 ' A' ' 67' ' ' LEU . 15.3 m -69.29 -31.01 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.0 mt -74.67 -37.15 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.748 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -72.75 -39.01 67.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 81' ' ' ASP . 3.6 mp -59.68 -41.15 90.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.548 ' CB ' ' NH2' ' A' ' 100' ' ' ARG . . . -60.01 -46.92 87.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.89 -50.85 21.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.748 HD22 ' CG2' ' A' ' 84' ' ' THR . 6.0 mp -55.61 -52.32 64.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.83 HG22 ' CD1' ' A' ' 97' ' ' ILE . 48.0 mt -61.51 -50.03 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.541 ' CG ' HG13 ' A' ' 97' ' ' ILE . 1.6 mtt85 -37.72 -34.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -46.91 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.757 ' CB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.04 1.26 55.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.824 ' O ' HD11 ' A' ' 97' ' ' ILE . . . -169.61 79.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.8 p -83.4 15.13 3.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -96.88 -88.86 0.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 109.634 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HD3' HD12 ' A' ' 116' ' ' ILE . 2.1 mtp180 -100.35 104.56 16.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.83 ' CD1' HG22 ' A' ' 89' ' ' ILE . 38.0 mm -113.99 167.57 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.517 ' N ' HG22 ' A' ' 97' ' ' ILE . 2.2 p -87.9 148.18 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -111.61 179.31 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.572 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.548 ' NH2' ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER -141.02 101.67 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 p -102.09 145.07 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.805 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.5 p -122.8 85.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.03 -41.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.3 t -135.34 176.38 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.03 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -97.89 134.82 40.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.487 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -146.97 138.76 24.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.586 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 15.0 mt-10 -103.77 146.41 28.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.568 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -138.56 143.87 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -159.78 164.51 34.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.951 HG23 HG22 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -148.93 168.74 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.466 ' N ' HG13 ' A' ' 110' ' ' VAL . 3.2 p -114.2 -24.93 8.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -155.8 -44.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 110.34 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.493 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 157.72 -22.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.438 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -78.2 -75.0 0.99 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.655 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.3 mt-10 -78.46 141.72 38.05 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.532 0.784 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.951 HG22 HG23 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -128.41 164.1 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.437 HD11 ' HA3' ' A' ' 109' ' ' GLY . 2.7 pp -132.57 140.43 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.586 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.92 153.58 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -173.34 126.94 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.487 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.6 mp -81.85 51.07 1.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 9.3 t-20 61.32 141.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.901 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.712 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' TRP . 41.2 t 36.52 58.69 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 12' ' ' ALA . 1.3 tt0 39.95 72.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.403 ' H ' ' HB2' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -76.04 -80.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -133.2 -79.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.441 HG22 ' HB3' ' A' ' 14' ' ' GLU . 6.2 mt -85.27 13.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 8' ' ' GLN . . . -43.93 -35.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -58.22 8.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.978 ' O ' HD11 ' A' ' 79' ' ' ILE . 6.7 tt0 -60.65 -27.69 68.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.902 ' O ' HG22 ' A' ' 18' ' ' THR . 8.9 mp -68.79 -56.22 8.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -35.37 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.08 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -69.67 -27.15 64.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.902 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.6 t -78.06 177.24 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 2.6 ptt-85 85.29 120.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.6 tp60 -125.16 69.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 59.93 28.89 18.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.647 HG12 ' N ' ' A' ' 23' ' ' SER . 97.9 t -104.71 -108.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 0.0 109.19 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.647 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -52.95 -66.69 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.048 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 27' ' ' ARG . . . 39.24 56.5 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.708 HD12 ' CB ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -68.98 -32.7 55.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.712 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 12.9 pt-20 -66.02 -41.98 90.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.443 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -65.35 -58.9 4.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.668 ' HE2' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -57.07 -42.4 80.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.961 HD13 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.961 ' N ' HD13 ' A' ' 40' ' ' LEU . 25.2 t0 -79.52 -53.86 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -49.9 -39.18 38.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -80.72 -42.24 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.499 ' CE ' ' HE3' ' A' ' 92' ' ' LYS . 10.3 mmtm -49.45 -29.66 6.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.211 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.9 t -54.66 -22.29 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.958 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 46' ' ' LEU . 6.2 mt -83.51 5.97 22.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -47.59 -40.59 19.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 79.5 -176.7 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.61 1.194 . . . . 0.0 109.976 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.3 Cg_endo -74.95 125.24 9.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.549 HG22 ' CD ' ' A' ' 74' ' ' GLU . 40.2 t -133.49 162.06 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -156.4 134.76 11.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.525 ' HB ' ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -152.84 148.65 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.439 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -101.61 148.45 25.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.837 ' HB2' HD11 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -107.0 139.67 41.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.276 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HG2' HD21 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -120.33 -174.15 2.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -52.47 128.26 25.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.744 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -51.01 -24.78 8.95 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.469 ' H ' HG23 ' A' ' 102' ' ' VAL . 1.5 t70 -62.54 -30.09 71.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 0.71 . . . . 0.0 109.212 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -105.4 7.45 33.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.489 HD22 ' HD3' ' A' ' 100' ' ' ARG . 9.7 tp -49.21 -40.46 33.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.749 ' HA ' HD12 ' A' ' 64' ' ' ILE . 8.8 p-10 -58.08 -49.53 76.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.44 -40.17 64.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.49 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -56.94 -27.45 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 61' ' ' ASP . 10.3 mt -63.78 -49.91 80.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.545 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -63.11 -33.15 74.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.5 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -74.94 -34.75 62.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.525 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 25.6 mt -65.16 -50.28 66.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.624 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -47.01 -45.38 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.6 mt-10 -59.05 -23.26 61.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 mm-40 -92.62 -40.34 10.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' GLU . 13.2 m -89.84 -65.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.3 t30 -39.75 -33.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -52.01 -50.27 61.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.18 . . . . 0.0 109.329 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.549 ' CD ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -108.69 14.69 24.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.247 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.08 -168.91 12.73 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.485 HG23 HG23 ' A' ' 78' ' ' VAL . 10.5 tp -92.33 157.67 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.403 ' CD2' HD21 ' A' ' 72' ' ' ASN . 0.4 OUTLIER -61.24 99.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.604 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 80' ' ' HIS . 3.1 t -134.67 136.02 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.978 HD11 ' O ' ' A' ' 14' ' ' GLU . 1.4 pt -109.24 46.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.651 ' HB2' HD11 ' A' ' 85' ' ' LEU . 63.6 m170 -86.96 163.84 16.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.626 ' O ' HD13 ' A' ' 85' ' ' LEU . 86.2 m-20 -105.06 166.6 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.4 t -64.9 -29.63 70.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.8 mt -74.48 -38.64 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.654 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -74.49 -35.15 63.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.428 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.82 ' O ' HD12 ' A' ' 89' ' ' ILE . 4.6 mp -59.46 -41.05 88.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.409 ' HA ' HG23 ' A' ' 97' ' ' ILE . . . -61.15 -46.72 89.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.524 ' CE1' ' NH2' ' A' ' 90' ' ' ARG . 1.3 t80 -71.57 -49.46 40.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.708 ' CB ' HD12 ' A' ' 25' ' ' ILE . 6.2 mp -56.32 -51.23 69.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.82 HD12 ' O ' ' A' ' 85' ' ' LEU . 8.0 mt -61.05 -51.81 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.524 ' NH2' ' CE1' ' A' ' 87' ' ' PHE . 1.3 mtm180 -38.88 -34.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -71.88 -46.46 57.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.633 ' HB3' HD21 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -89.85 0.78 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.729 ' HB1' ' HG3' ' A' ' 96' ' ' ARG . . . -176.06 84.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -6.14 24.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -96.09 -77.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.576 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.729 ' HG3' ' HB1' ' A' ' 93' ' ' ALA . 1.0 OUTLIER -67.85 106.31 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.493 ' CD1' ' HG2' ' A' ' 90' ' ' ARG . 5.8 mt -132.82 159.85 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 p -111.65 125.02 68.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -101.36 -173.29 2.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.584 1.178 . . . . 0.0 109.615 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.489 ' HD3' HD22 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -166.63 130.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.3 p -117.24 149.93 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.777 HG13 ' O ' ' A' ' 102' ' ' VAL . 9.0 p -116.74 80.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.23 -38.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 t -135.22 176.99 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.423 ' OD1' HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -87.33 136.92 32.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -133.86 168.93 17.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.517 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 20.0 mt-10 -152.51 141.82 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.837 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -145.63 142.5 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.211 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.4 ' O ' HG13 ' A' ' 117' ' ' ILE . . . -162.59 175.6 38.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.73 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -153.22 164.65 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.263 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.449 ' N ' HG13 ' A' ' 110' ' ' VAL . 37.8 p -113.12 -26.65 8.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.524 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.63 -49.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.332 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER 153.92 -21.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.6 -70.15 1.31 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.4 OUTLIER -86.89 135.89 33.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.311 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.73 HG22 HG23 ' A' ' 110' ' ' VAL . 2.2 pp -115.51 163.56 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.6 pp -131.6 139.63 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.517 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -138.04 154.5 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -164.63 170.9 15.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -110.84 12.33 22.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 120' ' ' LEU . 3.2 t30 60.94 142.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.954 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.655 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.96 -58.0 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -157.66 64.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 0.0 110.265 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.664 ' HG2' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -84.12 -83.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -153.84 -77.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.485 ' C ' HD13 ' A' ' 15' ' ' LEU . 11.5 mt -77.15 0.97 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.29 -33.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.31 -56.6 19.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.624 ' O ' HD11 ' A' ' 79' ' ' ILE . 3.9 tt0 -60.61 -25.28 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.485 HD13 ' C ' ' A' ' 11' ' ' ILE . 9.0 mp -73.69 -50.15 22.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -56.75 -34.98 68.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -67.33 -33.95 76.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.385 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -84.92 153.8 22.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.681 ' CA ' ' HB2' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -175.91 -41.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.873 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.3 tp60 38.07 31.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.2 m-20 45.46 25.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.068 . . . . 0.0 109.251 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 20' ' ' GLN . 53.9 t -104.65 -102.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.704 ' N ' HG12 ' A' ' 22' ' ' VAL . 11.0 m -79.6 16.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.681 ' HB2' ' CA ' ' A' ' 19' ' ' ARG . . . -66.71 61.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.752 HD11 HD22 ' A' ' 40' ' ' LEU . 82.2 mt -67.21 -20.51 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.655 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 42.0 mt-10 -65.37 -59.0 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.398 1.061 . . . . 0.0 110.221 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -47.93 73.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -55.18 -53.96 49.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.353 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -76.08 -53.5 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.387 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -48.03 -38.31 16.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.491 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -79.9 -39.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -26.27 25.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -78.47 -5.65 53.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 43' ' ' VAL . 13.1 mt -44.89 -38.57 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 48' ' ' SER . 14.9 mtpt -136.97 -95.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER 155.82 -57.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 48' ' ' SER . 18.4 Cg_endo -74.96 127.65 10.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.461 HG13 ' OE2' ' A' ' 74' ' ' GLU . 28.3 t -150.12 136.68 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -147.96 142.94 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.779 HG22 HD22 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -151.24 147.18 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.668 ' O ' HD21 ' A' ' 67' ' ' LEU . 7.3 tt -96.49 147.15 24.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.692 ' HB2' HD11 ' A' ' 108' ' ' ILE . 4.3 t -114.38 123.43 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.491 ' HG2' HD21 ' A' ' 53' ' ' LEU . 3.6 mtm180 -111.59 -173.06 2.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.459 ' CG ' ' HB ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -50.93 126.78 17.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.358 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.772 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -48.79 -29.72 8.29 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.582 1.176 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.04 -22.95 65.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -112.03 7.84 19.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.483 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 11.1 tp -51.58 -41.37 61.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.16 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.82 ' HA ' HD12 ' A' ' 64' ' ' ILE . 7.3 p-10 -56.89 -48.52 77.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.411 1.069 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.3 tt0 -73.95 -38.97 64.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.558 HD12 ' HG ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -59.74 -24.79 30.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 61' ' ' ASP . 10.4 mt -65.73 -48.63 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 1.027 ' HA ' HD23 ' A' ' 68' ' ' LEU . 12.7 pttt -66.43 -34.47 78.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.64 -37.07 65.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.779 HD22 HG22 ' A' ' 52' ' ' ILE . 14.9 mt -71.62 -43.27 66.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.027 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.69 -46.46 29.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.2 mm-40 -54.6 -24.02 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.8 mm-40 -93.66 -42.17 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.454 ' C ' ' N ' ' A' ' 73' ' ' LYS . 1.4 m -87.31 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 110.079 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -41.21 -28.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.59 -59.41 4.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.461 ' OE2' HG13 ' A' ' 50' ' ' VAL . 8.9 pm0 -80.64 3.12 23.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.4 -169.92 13.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.816 HG21 HG21 ' A' ' 22' ' ' VAL . 5.4 tp -93.59 165.12 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.22 99.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.412 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 2.0 t -134.72 143.97 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.624 HD11 ' O ' ' A' ' 14' ' ' GLU . 18.9 pt -117.81 53.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.455 ' CE1' ' CD2' ' A' ' 88' ' ' LEU . 53.2 m170 -87.33 167.62 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.528 ' O ' HD13 ' A' ' 85' ' ' LEU . 84.1 m-20 -107.04 174.64 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.28 -31.66 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.664 HD12 ' HG2' ' A' ' 9' ' ' LYS . 5.8 mt -74.3 -36.22 42.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.708 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -73.02 -35.07 66.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.419 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -59.66 -39.11 83.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.458 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -64.69 -43.71 92.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.12 -49.94 38.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.708 HD22 ' CG2' ' A' ' 84' ' ' THR . 3.5 mp -59.22 -48.97 79.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.58 HG23 ' NZ ' ' A' ' 92' ' ' LYS . 78.9 mt -63.16 -50.51 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.604 1.19 . . . . 0.0 109.379 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.493 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 4.8 mtm180 -38.33 -34.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -66.75 -44.24 82.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.58 ' NZ ' HG23 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -88.64 -15.77 34.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -154.27 74.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 90' ' ' ARG . 4.3 p -73.41 -2.62 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -89.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.643 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.474 ' HD3' ' CG1' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -93.32 108.49 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.554 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -118.21 171.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.601 1.188 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.554 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.1 p -98.01 152.08 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.15 -172.04 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.3 126.73 14.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.5 p -119.59 149.92 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.772 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.9 p -129.22 84.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.96 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.3 t -135.24 176.99 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -89.47 134.89 33.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -138.32 171.06 14.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 47.9 mt-10 -151.81 145.36 24.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.752 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -143.25 140.6 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.418 ' O ' ' CG1' ' A' ' 117' ' ' ILE . . . -160.75 148.79 17.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.168 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 1.061 HG23 HG23 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -132.68 163.52 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 0.724 . . . . 0.0 109.314 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.428 ' N ' HG13 ' A' ' 110' ' ' VAL . 31.9 p -112.29 -25.15 9.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.391 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -151.28 -49.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.47 ' OD2' ' HB1' ' A' ' 93' ' ' ALA . 0.7 OUTLIER 157.4 -23.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.236 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.79 -73.91 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.5 pm0 -78.4 136.11 37.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 1.061 HG23 HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -123.12 162.75 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 109' ' ' GLY . 5.3 pt -132.51 139.16 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -133.01 154.38 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.56 166.41 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.613 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -114.37 6.58 16.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.608 1.193 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 120' ' ' LEU . 8.9 t-20 61.03 142.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.019 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.71 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.2 t -93.81 -42.61 9.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.91 55.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.88 -79.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.97 -69.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.608 ' O ' HD13 ' A' ' 15' ' ' LEU . 23.9 mt -74.69 -1.93 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.14 -42.26 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 11.6 ptp180 -56.52 -53.72 54.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 18' ' ' THR . 5.1 tt0 -56.06 -35.08 66.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.998 HD23 HG21 ' A' ' 84' ' ' THR . 11.2 mp -61.4 -56.19 23.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -32.03 33.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 m -82.71 -27.42 31.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.6 ' CG2' ' HE2' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -84.54 -173.6 4.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.932 ' O ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER 77.72 13.05 1.84 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 19' ' ' ARG . 23.8 mm-40 33.61 40.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 t30 41.69 27.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.932 HG12 ' O ' ' A' ' 19' ' ' ARG . 13.1 p -96.91 -3.96 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -149.32 -78.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 34.7 67.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.672 HD12 ' HG ' ' A' ' 88' ' ' LEU . 4.9 mt -45.4 -25.4 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.71 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -65.41 -41.44 93.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ALA . 3.3 mtp180 -76.12 -49.75 16.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.31 -39.38 79.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.483 ' CD1' ' HB3' ' A' ' 91' ' ' GLU . 2.1 pt? . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -67.23 -58.26 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -52.23 -31.35 31.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -83.93 -25.09 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 45' ' ' SER . 2.7 pttt -64.17 -45.81 86.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 8.3 t -56.46 -20.07 18.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' A' ' 46' ' ' LEU . 9.0 mt -83.05 6.51 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD3' ' NH1' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -52.02 -50.79 60.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.551 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 49.79 -179.5 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.1 Cg_endo -75.0 131.29 14.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 51' ' ' ARG . 99.5 t -149.16 160.84 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.427 ' N ' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -155.43 139.68 16.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.76 HD13 ' OG ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -162.4 148.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.855 ' O ' HD11 ' A' ' 67' ' ' LEU . 2.5 tt -97.7 148.94 22.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.506 ' SG ' ' CD1' ' A' ' 60' ' ' LEU . 6.7 t -118.77 139.25 51.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.1 -173.97 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.318 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -52.85 143.03 17.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.778 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -50.91 -19.35 3.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -79.43 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -2.11 5.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.376 1.048 . . . . 0.0 110.405 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.599 ' O ' HD13 ' A' ' 64' ' ' ILE . 4.5 tp -48.41 -41.16 28.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -57.28 -50.06 74.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -41.57 67.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -57.66 -34.59 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.715 HD11 ' HB2' ' A' ' 82' ' ' SER . 0.5 OUTLIER -62.22 -38.47 81.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.767 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -64.98 -43.01 94.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -34.79 72.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.255 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.855 HD11 ' O ' ' A' ' 53' ' ' LEU . 52.2 mt -67.97 -44.08 77.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.767 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.48 -44.84 25.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.409 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.6 mm-40 -56.3 -24.09 41.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.7 mm-40 -93.12 -40.6 10.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.76 ' OG ' HD13 ' A' ' 52' ' ' ILE . 38.3 m -91.15 -64.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.597 ' N ' ' O ' ' A' ' 68' ' ' LEU . 4.9 t30 -40.13 -32.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.62 -50.97 68.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -92.87 6.7 46.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.17 -171.53 13.95 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 77' ' ' HIS . 7.5 tp -92.18 154.98 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -45.11 99.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.589 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.458 HG11 HH21 ' A' ' 19' ' ' ARG . 3.9 t -134.74 142.3 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.496 HG13 HG21 ' A' ' 18' ' ' THR . 3.3 pt -127.87 37.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.6 ' HE2' ' CG2' ' A' ' 18' ' ' THR . 11.7 m170 -87.45 164.28 16.26 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 109.567 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.569 ' HA ' ' CG1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -101.38 167.79 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.715 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -63.42 -29.75 70.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.536 HG13 HD21 ' A' ' 60' ' ' LEU . 2.3 mt -65.09 -40.6 89.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.998 HG21 HD23 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -78.75 -32.39 46.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -57.64 -36.72 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.434 ' HA ' ' CG2' ' A' ' 97' ' ' ILE . . . -63.76 -45.16 91.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -72.03 -51.52 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.982 HD13 HG23 ' A' ' 84' ' ' THR . 6.6 mp -56.19 -50.44 71.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.657 ' O ' ' N ' ' A' ' 93' ' ' ALA . 67.9 mt -64.32 -50.46 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.503 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -38.63 -35.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.577 ' HB2' HG21 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -72.32 -44.98 61.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -89.06 0.73 56.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.732 ' HB1' ' HG3' ' A' ' 96' ' ' ARG . . . -176.62 84.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.532 ' O ' HD11 ' A' ' 97' ' ' ILE . 10.3 p -69.02 -6.33 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.09 -75.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.645 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.732 ' HG3' ' HB1' ' A' ' 93' ' ' ALA . 0.3 OUTLIER -70.38 104.64 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.532 HD11 ' O ' ' A' ' 94' ' ' SER . 1.8 mt -133.09 159.49 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.729 HG23 HG12 ' A' ' 108' ' ' ILE . 2.2 p -108.48 128.91 63.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -172.14 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.486 ' HG3' HD13 ' A' ' 60' ' ' LEU . 6.9 tmm_? -169.14 114.85 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.58 149.0 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.778 HG13 ' N ' ' A' ' 57' ' ' GLY . 1.5 t -112.84 67.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.418 ' N ' ' HG2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -165.83 -42.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.2 p -129.7 176.25 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.487 ' O ' HD23 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -98.31 147.01 25.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.548 ' CD1' ' HG ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -151.81 134.33 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 118' ' ' VAL . 54.3 mt-10 -105.68 148.98 26.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.737 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -141.95 146.36 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.495 ' C ' ' CG1' ' A' ' 117' ' ' ILE . . . -167.71 170.55 41.84 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.437 1.086 . . . . 0.0 110.982 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -146.08 168.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.497 ' N ' HG13 ' A' ' 110' ' ' VAL . 18.3 p -114.09 -27.94 7.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.408 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.99 -48.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.2 OUTLIER 154.17 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.41 -70.99 1.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.635 ' O ' HG22 ' A' ' 110' ' ' VAL . 5.7 mm-40 -78.55 161.35 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.7 157.67 43.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.495 ' CG1' ' C ' ' A' ' 109' ' ' GLY . 6.9 pt -132.4 140.3 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 107' ' ' GLU . 14.9 p -145.44 154.29 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -173.39 128.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.548 ' HG ' ' CD1' ' A' ' 106' ' ' PHE . 4.5 mp -81.55 50.82 1.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.3 t-20 61.43 140.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.693 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.97 -53.71 3.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.43 47.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HG2' ' CD1' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -65.59 -67.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -164.33 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mt -73.84 -0.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.01 -41.38 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 14.8 ptt180 -55.01 -54.63 40.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' N ' ' CG ' ' A' ' 13' ' ' ARG . 2.2 tt0 -59.34 -27.72 66.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.991 ' O ' HG22 ' A' ' 18' ' ' THR . 0.5 OUTLIER -72.0 -52.09 18.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -52.48 -34.99 51.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.221 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 m -60.74 -27.23 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.991 HG22 ' O ' ' A' ' 15' ' ' LEU . 4.7 t -85.61 -149.42 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.784 ' N ' HG23 ' A' ' 18' ' ' THR . 13.2 ttp-105 85.04 36.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.02 62.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER 64.92 25.53 12.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.038 HG21 ' CG2' ' A' ' 78' ' ' VAL . 8.0 p -100.19 75.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 1.7 t 89.03 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.951 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 32.55 54.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.5 HD12 ' HG ' ' A' ' 88' ' ' LEU . 93.4 mt -71.27 -35.43 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.693 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 6.3 pt-20 -67.59 -47.05 70.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -54.19 44.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -56.89 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.385 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.844 HD13 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.844 ' N ' HD13 ' A' ' 40' ' ' LEU . 25.5 t0 -66.7 -56.93 8.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 3.0 t80 -51.85 -33.27 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.607 1.192 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -83.76 -21.97 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.433 1.083 . . . . 0.0 109.349 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.493 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -66.36 -44.13 84.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.493 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 34.2 t -45.1 -44.97 10.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 46' ' ' LEU . 1.7 mt -39.26 -41.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 42.06 38.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.8 m -62.74 145.73 95.36 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.477 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.1 Cg_endo -75.02 149.27 36.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.477 HG23 ' C ' ' A' ' 49' ' ' PRO . 62.7 t -155.11 161.27 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.42 ' N ' HG12 ' A' ' 50' ' ' VAL . 1.3 ttt180 -158.61 139.5 12.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.42 1.075 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.485 ' CG2' ' HB2' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -156.74 146.81 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.681 HD21 ' HG2' ' A' ' 55' ' ' ARG . 7.4 tt -93.81 148.98 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.641 ' HB2' HD11 ' A' ' 108' ' ' ILE . 27.4 t -118.91 126.29 51.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 108.354 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.681 ' HG2' HD21 ' A' ' 53' ' ' LEU . 7.2 mtm180 -115.63 -171.94 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -49.98 127.29 16.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.816 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -46.41 -26.68 2.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.13 -33.73 76.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.754 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.957 HG23 HD13 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -99.4 8.19 44.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 64' ' ' ILE . 8.0 tp -55.35 -45.22 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -52.12 -49.12 64.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -36.37 67.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.957 HD13 HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -61.16 -27.5 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -62.6 -50.13 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -63.07 -34.24 77.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.56 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.1 mtp180 -73.47 -33.49 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -61.36 -50.37 73.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -46.37 -50.46 16.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 7.1 mm-40 -51.58 -24.63 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.485 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 2.7 mm-40 -94.41 -41.42 9.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.592 1.183 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 74' ' ' GLU . 20.1 m -86.47 -66.34 0.92 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.029 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 t30 -40.46 -29.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -62.49 -51.16 68.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.0 pp20? -95.53 3.31 54.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.01 -172.63 13.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.427 ' HA ' HD12 ' A' ' 76' ' ' ILE . 8.3 tp -92.7 162.46 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.428 0.722 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.19 100.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.038 ' CG2' HG21 ' A' ' 22' ' ' VAL . 2.9 t -134.25 137.41 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.586 HD11 ' HB ' ' A' ' 18' ' ' THR . 46.1 pt -114.72 49.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.476 ' CD2' ' CG1' ' A' ' 78' ' ' VAL . 6.9 m-70 -87.14 167.96 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.574 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.883 ' O ' HD13 ' A' ' 85' ' ' LEU . 3.5 m-20 -111.87 172.51 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.3 t -68.6 -30.81 69.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.548 HD13 HH21 ' A' ' 100' ' ' ARG . 13.7 mt -74.1 -35.03 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.632 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -76.57 -33.59 58.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.473 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.883 HD13 ' O ' ' A' ' 81' ' ' ASP . 5.8 mp -58.82 -41.89 87.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.416 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -63.9 -41.63 97.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -72.31 -49.75 32.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.632 HD22 ' CG2' ' A' ' 84' ' ' THR . 5.5 mp -61.53 -40.15 93.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.586 ' O ' ' N ' ' A' ' 93' ' ' ALA . 75.8 mt -69.65 -51.61 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.419 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -38.76 -34.71 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.453 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 2.5 mm-40 -70.59 -46.23 63.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.593 ' HB3' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.31 1.95 55.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.586 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -170.52 79.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.4 p -79.58 3.42 18.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.443 1.089 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -87.15 -88.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.551 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -100.71 111.83 24.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.7 OUTLIER -115.54 171.84 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.5 p -97.05 148.39 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.62 -168.96 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.563 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.548 HH21 HD13 ' A' ' 83' ' ' ILE . 4.7 ppt_? -160.66 119.35 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.0 p -112.33 149.49 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.816 HG23 ' N ' ' A' ' 57' ' ' GLY . 9.4 p -116.17 85.71 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.96 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 t -135.54 176.88 8.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.7 ' O ' HD23 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -98.4 137.11 37.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.638 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.99 139.47 18.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.611 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 32.6 mt-10 -111.34 148.95 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.641 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -135.91 137.21 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.363 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.42 ' CA ' HG13 ' A' ' 117' ' ' ILE . . . -149.33 154.93 26.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 1.032 HG23 HG22 ' A' ' 116' ' ' ILE . 0.8 OUTLIER -143.56 156.75 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 p -115.13 -20.77 10.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 110.379 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -144.73 -53.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.253 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 5.3 m-20 155.55 -23.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.46 -70.56 1.33 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.462 ' O ' HG22 ' A' ' 110' ' ' VAL . 2.4 pm0 -79.2 136.98 37.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 1.032 HG22 HG23 ' A' ' 110' ' ' VAL . 2.2 pp -122.79 166.56 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.42 HG13 ' CA ' ' A' ' 109' ' ' GLY . 1.2 pt -132.75 140.3 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.611 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 17.9 m -122.43 153.45 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.3 110.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.7 HD23 ' O ' ' A' ' 105' ' ' ASP . 3.0 mp -84.12 50.21 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 120' ' ' LEU . 12.2 t-20 61.24 140.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.644 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.02 -87.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 6' ' ' TRP . 10.2 tt0 -158.48 54.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.713 ' HD2' HG21 ' A' ' 83' ' ' ILE . 3.4 mmtt -57.37 -65.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HE2' ' CB ' ' A' ' 61' ' ' ASP . 12.5 tttt -154.28 -84.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.438 HG22 ' HB3' ' A' ' 14' ' ' GLU . 10.8 mt -75.5 5.16 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 8' ' ' GLN . . . -39.31 -37.14 0.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.162 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -58.69 6.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.511 ' HG2' HD12 ' A' ' 79' ' ' ILE . 1.3 tt0 -59.24 -24.93 63.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.966 ' O ' HG22 ' A' ' 18' ' ' THR . 0.9 OUTLIER -69.17 -60.4 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' O ' ' NH1' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -51.26 -30.53 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 2.2 m -69.48 -29.54 67.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.966 HG22 ' O ' ' A' ' 15' ' ' LEU . 6.9 t -81.9 -144.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.77 ' N ' HG23 ' A' ' 18' ' ' THR . 0.0 OUTLIER 35.14 67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.22 60.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' ARG . 7.5 m-20 62.3 23.61 13.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 22' ' ' VAL . 73.6 t -100.19 3.92 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 24' ' ' ALA . 20.5 t -176.05 -73.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.984 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 37.77 60.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.498 HD12 ' CA ' ' A' ' 88' ' ' LEU . 11.0 mt -50.55 -25.65 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.644 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 10.6 pt-20 -71.84 -52.87 15.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 18.6 ttt180 -58.12 -50.67 72.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -57.68 11.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.808 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.808 ' N ' HD22 ' A' ' 40' ' ' LEU . 7.6 t70 -70.99 -55.68 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -51.42 -37.21 47.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -27.8 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.8 ' CE ' HH21 ' A' ' 96' ' ' ARG . 0.0 OUTLIER -63.58 -34.71 78.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' LEU . 37.5 t -53.11 -45.13 68.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.041 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 46' ' ' LEU . 1.5 mt -39.94 -58.08 1.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 mttt 66.79 60.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.97 144.56 30.25 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.438 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -74.99 144.65 30.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.438 HG23 ' C ' ' A' ' 49' ' ' PRO . 23.8 t -153.04 161.31 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.3 142.5 9.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.52 ' CG2' ' HB2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -154.05 148.6 13.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 109.247 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.573 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -97.81 145.2 26.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.77 ' HB2' HD11 ' A' ' 108' ' ' ILE . 3.9 t -103.33 139.06 39.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.573 ' HG2' HD21 ' A' ' 53' ' ' LEU . 1.2 mmm180 -119.98 -174.1 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 59' ' ' THR . 4.3 mtm180 -57.86 127.69 33.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.834 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -46.78 -26.64 2.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -63.63 -35.04 79.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.754 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -99.7 9.15 43.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.532 HD12 HG21 ' A' ' 63' ' ' ILE . 11.6 tp -51.35 -43.76 61.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' CB ' ' HE2' ' A' ' 10' ' ' LYS . 7.8 p-10 -52.67 -49.91 64.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -35.66 68.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.211 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.565 HG22 HD13 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -61.6 -25.92 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.615 HG23 ' O ' ' A' ' 80' ' ' HIS . 1.6 mm -63.01 -48.19 89.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.726 ' HA ' HD21 ' A' ' 68' ' ' LEU . 1.5 tttp -65.03 -34.53 78.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.473 ' HB2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -74.66 -32.85 62.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.516 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 13.5 mt -64.64 -54.15 36.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.726 HD21 ' HA ' ' A' ' 65' ' ' LYS . 3.3 pp -54.62 -39.64 68.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.683 ' HG2' HD12 ' A' ' 68' ' ' LEU . 4.6 mm-40 -60.81 -24.03 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.52 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 1.6 mm-40 -95.22 -35.39 11.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.252 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -91.45 -63.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.9 t-20 -43.36 -32.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -53.98 -38.44 65.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.0 OUTLIER -119.53 13.83 12.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.257 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.66 -167.75 12.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 77' ' ' HIS . 7.2 tp -90.59 154.29 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 0.734 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.425 ' N ' HG13 ' A' ' 76' ' ' ILE . 7.3 t-160 -48.42 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.4 1.063 . . . . 0.0 109.565 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.3 t -136.34 140.24 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.511 HD12 ' HG2' ' A' ' 14' ' ' GLU . 35.1 pt -127.57 49.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.615 ' O ' HG23 ' A' ' 64' ' ' ILE . 50.9 m170 -90.0 165.8 13.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.901 ' OD1' HD11 ' A' ' 15' ' ' LEU . 1.3 m-20 -105.22 164.67 11.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.433 ' CB ' ' HD3' ' A' ' 100' ' ' ARG . 1.1 t -55.05 -35.3 64.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.998 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.713 HG21 ' HD2' ' A' ' 9' ' ' LYS . 2.4 mt -63.59 -42.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.744 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -75.9 -35.11 59.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.459 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 1.3 mp -58.29 -41.65 84.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 90' ' ' ARG . . . -62.83 -44.76 95.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -71.49 -50.99 26.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.744 HD13 HG23 ' A' ' 84' ' ' THR . 6.1 mp -57.92 -50.22 74.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 93' ' ' ALA . 86.6 mt -61.93 -52.9 55.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.484 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 3.2 mtt180 -39.77 -35.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -45.99 61.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.619 ' CB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.19 0.62 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.759 ' HB1' ' HG3' ' A' ' 96' ' ' ARG . . . -176.15 83.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.429 ' O ' HD11 ' A' ' 97' ' ' ILE . 89.9 p -69.22 -6.05 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -95.96 -75.49 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.559 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.8 HH21 ' CE ' ' A' ' 44' ' ' LYS . 4.8 ppt_? -70.83 104.38 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.54 HG22 ' H ' ' A' ' 98' ' ' VAL . 4.7 mt -128.99 170.96 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.54 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.5 p -117.44 135.49 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.619 ' HA ' HH21 ' A' ' 100' ' ' ARG . 57.8 t-80 -97.01 169.78 9.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.559 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.619 HH21 ' HA ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -143.99 115.47 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.8 p -116.01 149.33 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.834 HG23 ' N ' ' A' ' 57' ' ' GLY . 9.9 p -124.7 81.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.355 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -177.29 -38.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.3 m -134.89 176.6 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.03 136.79 32.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.82 170.54 15.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 46.4 mt-10 -154.78 140.22 17.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.785 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -145.45 142.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.44 ' O ' ' CG1' ' A' ' 117' ' ' ILE . . . -166.82 162.77 36.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -133.01 168.87 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.261 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.508 ' N ' HG13 ' A' ' 110' ' ' VAL . 73.1 p -114.81 -28.53 7.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.36 -49.27 0.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER 155.4 -21.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.11 -68.18 1.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.687 ' O ' HG22 ' A' ' 110' ' ' VAL . 18.9 mm-40 -81.09 150.17 28.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 0.726 . . . . 0.0 110.332 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.684 HG22 HG23 ' A' ' 110' ' ' VAL . 2.0 pp -128.26 159.85 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 109' ' ' GLY . 5.9 pt -131.52 139.96 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 14.3 p -140.18 157.22 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -169.1 168.08 10.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.738 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -106.57 14.37 27.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.5 t-20 61.12 141.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.1 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.722 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -35.1 79.46 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.576 1.172 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 170.86 72.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.92 -77.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -138.47 -85.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 mt -77.4 3.07 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.27 -35.06 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -57.53 11.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.757 ' O ' HD11 ' A' ' 79' ' ' ILE . 1.4 mt-10 -59.65 -30.73 68.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 80' ' ' HIS . 1.1 tt -65.83 -52.29 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -55.37 -37.41 67.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -27.6 68.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.436 ' HB ' ' CG1' ' A' ' 79' ' ' ILE . 0.5 OUTLIER -87.78 128.42 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.538 ' CG ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 176.17 40.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.225 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -69.47 59.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.02 27.34 12.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.802 HG13 ' N ' ' A' ' 23' ' ' SER . 2.7 p -90.44 -146.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.802 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -49.87 -63.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.019 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.538 ' HB2' ' CG ' ' A' ' 19' ' ' ARG . . . 45.09 53.28 7.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 88' ' ' LEU . 62.9 mt -76.59 -30.47 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.722 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -66.03 -42.19 89.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -74.26 -50.44 18.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -56.24 -44.43 79.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 109.371 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.828 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.828 ' N ' HD22 ' A' ' 40' ' ' LEU . 21.0 t70 -69.9 -56.44 7.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -49.28 -38.75 28.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -78.3 -30.5 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -60.01 -35.18 74.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' LEU . 48.3 t -50.88 -46.28 60.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.075 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 43' ' ' VAL . 1.6 mt -39.2 -51.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.4 mttt 68.6 63.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.9 p -96.45 139.56 21.75 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.435 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.4 Cg_endo -75.0 151.58 39.68 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.435 HG23 ' C ' ' A' ' 49' ' ' PRO . 44.5 t -152.91 161.38 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -160.16 142.43 13.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.663 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -161.49 147.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.593 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -99.42 148.03 24.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.431 ' HB2' HD11 ' A' ' 108' ' ' ILE . 23.5 t -108.01 129.4 55.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.593 ' HG2' HD21 ' A' ' 53' ' ' LEU . 8.9 mmt180 -116.19 -174.75 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.223 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.86 126.59 20.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.802 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -47.25 -28.22 4.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -61.3 -31.66 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.417 0.716 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -103.53 7.97 37.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.483 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 7.4 tp -49.64 -40.91 41.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.827 ' HA ' HD12 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -57.09 -49.38 76.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -38.59 67.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.236 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.646 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -57.39 -29.61 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.233 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 61' ' ' ASP . 9.2 mt -61.9 -46.6 96.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.655 ' HA ' HD23 ' A' ' 68' ' ' LEU . 6.9 tttt -63.75 -39.23 93.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.409 ' HB2' HD13 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -70.44 -34.57 72.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.663 HD13 ' HB ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -65.27 -51.88 57.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.655 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -49.12 -44.47 42.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.28 -24.76 45.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.497 ' HB2' HG23 ' A' ' 52' ' ' ILE . 4.1 mm-40 -93.64 -41.04 9.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 74' ' ' GLU . 14.3 m -85.73 -65.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.5 t30 -42.24 -29.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -63.75 -48.65 76.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.9 pt-20 -97.05 6.84 47.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.51 -171.46 13.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.555 1.159 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 78' ' ' VAL . 6.7 mm -91.61 161.46 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -47.24 98.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.597 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 76' ' ' ILE . 83.2 t -135.8 141.99 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.757 HD11 ' O ' ' A' ' 14' ' ' GLU . 21.8 pt -122.12 51.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.534 ' ND1' ' CD2' ' A' ' 88' ' ' LEU . 65.0 m170 -88.26 167.24 13.74 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.551 1.157 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.553 ' HA ' HG23 ' A' ' 64' ' ' ILE . 6.7 m-20 -112.99 175.63 5.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.227 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -68.87 -32.27 71.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 110.064 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.513 HG23 ' NH1' ' A' ' 100' ' ' ARG . 14.9 mt -70.18 -35.59 63.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.658 HG23 HD13 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -77.42 -36.67 52.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.514 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.67 -35.73 75.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.25 -50.29 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.34 -48.41 42.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.849 ' HA ' HD12 ' A' ' 25' ' ' ILE . 7.4 mp -56.29 -38.86 71.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 93' ' ' ALA . 68.4 mt -74.18 -50.84 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.81 -36.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -43.48 32.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.242 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.631 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -83.11 -3.25 57.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.648 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -177.45 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.09 0.99 16.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.09 -77.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.544 ' HB3' HG21 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -101.29 108.51 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.52 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -117.47 171.49 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.59 HG23 HG12 ' A' ' 108' ' ' ILE . 5.2 p -100.07 148.29 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.591 ' NE2' ' CE2' ' A' ' 106' ' ' PHE . 46.8 p-80 -111.76 -172.88 2.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.677 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.514 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 7.9 ptp180 -144.25 117.09 8.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.381 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.51 143.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.802 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.4 p -128.85 81.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.75 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.1 m -134.38 176.52 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.96 141.41 28.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.591 ' CE2' ' NE2' ' A' ' 99' ' ' HIS . 0.2 OUTLIER -144.92 166.46 25.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.645 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 0.7 OUTLIER -149.49 146.61 27.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.867 HG23 HG12 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -146.9 145.06 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.365 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.24 169.42 38.34 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -154.0 170.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.5 ' N ' HG13 ' A' ' 110' ' ' VAL . 3.3 p -115.89 -26.38 7.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.42 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -153.79 -45.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 160.77 -24.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.57 -75.08 1.0 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.673 ' O ' HG22 ' A' ' 110' ' ' VAL . 3.5 pm0 -79.54 136.61 36.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 0.717 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.647 HG22 HG23 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -132.75 166.21 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.577 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.9 pp -130.98 139.68 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.867 HG12 HG23 ' A' ' 108' ' ' ILE . 4.3 m -149.27 157.22 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 106' ' ' PHE . 5.5 t0 -170.4 170.66 6.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -107.16 11.56 29.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 120' ' ' LEU . 5.4 t30 61.49 142.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.492 0.187 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -169.05 -68.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.356 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -115.43 162.05 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.607 ' C ' ' CZ ' ' A' ' 87' ' ' PHE . 0.9 OUTLIER -128.67 31.72 4.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.362 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.572 ' HA3' ' CD1' ' A' ' 87' ' ' PHE . . . 82.15 -63.36 4.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.619 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -101.44 59.77 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 8' ' ' GLN . 99.9 p -97.7 45.41 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.406 ' CB ' ' O ' ' A' ' 7' ' ' SER . 2.6 tm0? 79.11 63.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.222 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -75.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -139.09 -92.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.432 ' C ' HD13 ' A' ' 15' ' ' LEU . 15.6 mt -71.29 -2.07 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.23 -37.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' CG ' ' H ' ' A' ' 14' ' ' GLU . 20.9 ptt85 -54.4 -55.47 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.818 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.7 OUTLIER -61.38 -28.33 69.16 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.44 1.088 . . . . 0.0 110.255 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.671 HD21 ' H ' ' A' ' 81' ' ' ASP . 7.8 mp -68.5 -57.98 5.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -51.92 -31.47 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.456 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 23.7 m -71.85 -27.43 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -87.35 122.55 31.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.479 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 2.4 ptt180 178.43 52.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.522 1.139 . . . . 0.0 110.227 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.431 ' C ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -70.23 65.6 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.225 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 52.92 21.23 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 23' ' ' SER . 2.1 t -91.04 -139.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.482 ' H ' HG12 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -49.83 -60.49 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 37.84 56.27 1.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.823 HD12 ' HG ' ' A' ' 88' ' ' LEU . 36.5 mt -67.95 -26.73 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.619 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 10.1 mt-10 -69.59 -52.09 29.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -47.34 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 6.9 mmtt -59.42 -58.3 9.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -45.02 -57.35 3.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -20.89 63.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' LYS . 2.5 mt-10 -79.55 46.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 45.41 34.09 1.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -51.57 154.0 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -163.32 -65.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.67 77.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' ARG . 14.6 m -147.67 -69.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.383 1.052 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -36.26 -64.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER 81.52 38.5 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.3 m -74.85 -78.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' A' ' 92' ' ' LYS . 1.4 pt? -50.27 -24.59 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.8 -55.89 8.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.363 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -54.34 -35.86 63.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.98 -23.04 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.468 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -65.73 -42.57 90.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -46.66 -44.98 18.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 mt -41.15 -57.06 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.94 44.48 30.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -78.02 149.65 76.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.045 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.432 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -74.97 149.46 36.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.432 HG23 ' C ' ' A' ' 49' ' ' PRO . 46.4 t -152.31 161.59 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.424 ' N ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -159.46 135.07 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.517 HD12 HD13 ' A' ' 67' ' ' LEU . 3.0 pt -152.16 147.81 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.448 HD12 ' CG ' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -100.97 148.4 25.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.182 . . . . 0.0 109.323 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.801 ' HB2' HD11 ' A' ' 108' ' ' ILE . 2.0 t -112.79 140.82 47.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.192 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -125.04 -172.92 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -51.24 126.05 15.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.817 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -47.99 -31.56 8.22 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.581 1.176 . . . . 0.0 111.037 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -56.0 -18.68 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.341 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.969 HG23 HD13 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -115.72 6.09 14.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.417 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.45 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 9.5 tp -49.73 -41.3 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.806 ' HA ' HD12 ' A' ' 64' ' ' ILE . 7.8 p-10 -56.88 -50.8 71.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -35.9 66.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.969 HD13 HG23 ' A' ' 59' ' ' THR . 0.6 OUTLIER -60.22 -29.91 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.806 HD12 ' HA ' ' A' ' 61' ' ' ASP . 8.5 mt -60.83 -43.44 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -67.6 -38.4 83.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -34.71 71.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.517 HD13 HD12 ' A' ' 52' ' ' ILE . 3.9 mt -64.99 -52.39 56.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -49.51 -45.32 47.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' O ' ' CD ' ' A' ' 73' ' ' LYS . 2.6 mm-40 -56.33 -24.66 45.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.514 ' HB2' HG22 ' A' ' 52' ' ' ILE . 3.3 mm-40 -93.42 -41.0 10.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 74' ' ' GLU . 65.3 m -86.39 -66.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.063 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 t30 -42.2 -28.32 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -61.69 -48.26 81.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.4 pt-20 -106.08 12.44 30.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.69 -168.72 12.62 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.407 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 7.3 tp -91.61 149.47 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -48.94 99.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 109.605 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.25 142.47 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.818 HD11 ' O ' ' A' ' 14' ' ' GLU . 2.7 pt -117.56 49.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.441 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 12.8 m-70 -86.88 166.37 15.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.651 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.671 ' H ' HD21 ' A' ' 15' ' ' LEU . 65.2 m-20 -107.78 162.84 13.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.1 t -60.28 -30.89 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 36.8 mt -73.26 -34.56 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.803 HG23 HD13 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -79.32 -32.38 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.368 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 81' ' ' ASP . 4.9 mp -60.06 -41.45 92.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.503 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -62.1 -44.56 96.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.607 ' CZ ' ' C ' ' A' ' 4' ' ' ARG . 1.8 t80 -71.35 -50.55 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.823 ' HG ' HD12 ' A' ' 25' ' ' ILE . 7.6 mp -59.46 -40.34 86.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.345 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.606 ' O ' ' N ' ' A' ' 93' ' ' ALA . 66.3 mt -68.15 -52.02 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 6.9 mtt180 -39.17 -35.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -45.78 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.623 ' HB3' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -89.16 0.37 56.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.606 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -171.92 80.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.1 p -79.8 3.31 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.968 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -87.56 -84.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.615 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.461 ' CD ' ' O ' ' A' ' 114' ' ' GLY . 4.3 mtp180 -102.69 110.46 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.404 1.065 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.541 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -114.87 171.57 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.541 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.6 p -97.65 145.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -116.42 -177.77 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.612 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.422 ' N ' ' HD3' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -144.17 129.63 18.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.28 149.91 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.372 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.817 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.7 p -129.25 81.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -178.09 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.37 177.13 8.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -87.2 138.7 31.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.559 ' CZ ' ' CG2' ' A' ' 118' ' ' VAL . 0.9 OUTLIER -137.61 165.86 25.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.568 1.167 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.543 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 4.2 mt-10 -148.14 140.91 24.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.215 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.801 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -136.88 144.8 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.37 159.02 29.14 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.867 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -152.74 164.5 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.466 ' N ' HG13 ' A' ' 110' ' ' VAL . 70.2 p -115.7 -25.83 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.501 1.125 . . . . 0.0 110.441 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.43 -50.37 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 1.9 m-20 158.76 -24.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.461 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -76.02 -73.08 1.02 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.512 ' O ' HG22 ' A' ' 110' ' ' VAL . 9.3 mm-40 -83.08 133.75 35.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.993 HD12 ' N ' ' A' ' 117' ' ' ILE . 0.5 OUTLIER -128.45 168.85 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.993 ' N ' HD12 ' A' ' 116' ' ' ILE . 2.8 pp -131.37 140.26 48.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.559 ' CG2' ' CZ ' ' A' ' 106' ' ' PHE . 14.3 p -131.34 154.57 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -166.46 171.7 11.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.668 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -109.13 20.46 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 120' ' ' LEU . 5.2 t30 61.28 139.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.507 0.194 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -39.01 -59.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.96 130.61 44.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.549 ' O ' ' CZ ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -43.08 162.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 0.0 110.271 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.57 ' HA3' ' CZ ' ' A' ' 87' ' ' PHE . . . 100.86 104.82 2.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.666 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 43.7 42.37 4.22 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.9 t -69.31 -75.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.84 53.78 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.177 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.507 ' HD2' HD13 ' A' ' 83' ' ' ILE . 4.7 mmtm -68.84 -75.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.45 -84.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.522 HG22 ' CD1' ' A' ' 15' ' ' LEU . 11.8 mt -72.46 -4.58 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -43.34 -27.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -65.54 -56.57 11.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.319 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.481 ' O ' HD11 ' A' ' 79' ' ' ILE . 1.8 tp10 -62.32 -22.86 66.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.269 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.522 ' CD1' HG22 ' A' ' 11' ' ' ILE . 9.8 mp -77.39 -59.07 2.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -50.5 -30.58 13.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 m -77.49 -27.49 51.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.373 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -86.9 125.66 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.392 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.897 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 0.9 OUTLIER 175.41 61.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.245 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -71.57 58.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.1 m120 47.47 27.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.569 HG21 HD12 ' A' ' 76' ' ' ILE . 8.3 p -106.59 5.54 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.41 -79.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.051 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.897 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 44.29 58.11 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.546 HD12 ' HG ' ' A' ' 88' ' ' LEU . 21.6 mt -72.05 -32.45 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.666 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 1.9 pp20? -67.72 -48.79 65.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' HG3' ' NH2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -63.15 -53.9 46.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 11.8 mmtt -57.84 -57.1 14.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -43.14 -63.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -20.87 45.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' LYS . 2.1 mm-40 -80.89 46.7 0.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.437 1.085 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 45.38 35.3 1.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -51.62 154.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -156.9 -60.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.235 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.47 75.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.4 ' O ' ' OD1' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -142.4 -56.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.411 ' NE ' ' HE3' ' A' ' 28' ' ' LYS . 3.2 tpt180 -56.68 -38.84 72.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 7.7 p-10 41.66 47.13 3.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 41' ' ' ASP . 51.3 m -75.9 -84.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.836 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -46.46 -25.49 0.68 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.836 ' N ' HD22 ' A' ' 40' ' ' LEU . 11.8 t0 -70.85 -55.85 7.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -50.55 -39.08 48.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -78.75 -27.79 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.627 1.204 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -36.76 78.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 46' ' ' LEU . 38.8 t -48.38 -46.25 36.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.399 1.062 . . . . 0.0 109.962 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 43' ' ' VAL . 1.5 mt -39.3 -55.33 1.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.6 mttm 67.6 62.85 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -99.06 142.0 23.86 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.77 35.7 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.4 t -145.01 148.52 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.11 133.15 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.244 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.883 HG22 HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -156.91 147.95 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -98.53 148.92 23.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.489 ' CB ' HD11 ' A' ' 108' ' ' ILE . 17.8 t -111.7 132.86 54.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.545 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -119.82 -173.12 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HD3' HG12 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -51.21 134.37 27.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.811 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -57.88 -19.1 35.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 0.0 111.065 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.4 -7.74 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -127.32 6.55 6.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.673 HD12 HG21 ' A' ' 63' ' ' ILE . 7.7 tp -55.26 -44.44 75.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.409 ' CG ' ' N ' ' A' ' 62' ' ' GLU . 7.6 p-10 -50.91 -49.15 60.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -73.81 -36.35 64.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.673 HG21 HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -63.33 -23.3 32.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.533 HD13 HG22 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -65.77 -48.23 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.975 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -66.18 -35.16 79.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.538 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.6 OUTLIER -73.72 -37.07 65.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.25 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.883 HD22 HG22 ' A' ' 52' ' ' ILE . 2.8 mt -72.33 -42.0 65.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.975 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.01 -43.02 19.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -55.33 -25.09 32.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 67' ' ' LEU . 4.1 mm-40 -94.11 -40.58 9.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.324 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 72' ' ' ASN . 2.0 m -86.14 -67.13 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -39.09 -33.25 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.43 -59.64 5.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.01 7.28 18.99 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.3 -177.75 15.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.693 HD13 ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -96.36 158.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.244 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.693 ' N ' HD13 ' A' ' 76' ' ' ILE . 13.7 t-160 -40.45 99.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.607 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 80' ' ' HIS . 2.3 t -134.59 139.51 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.481 HD11 ' O ' ' A' ' 14' ' ' GLU . 9.9 pt -116.12 41.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 35.0 m-70 -89.55 166.42 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.612 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.497 ' N ' HD21 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -119.98 167.69 11.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.2 t -55.03 -37.55 66.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.507 HD13 ' HD2' ' A' ' 9' ' ' LYS . 3.4 mt -61.42 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.665 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -73.2 -35.96 66.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 110.404 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.481 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.7 OUTLIER -60.04 -38.71 83.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.52 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -61.74 -47.53 84.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.57 ' CZ ' ' HA3' ' A' ' 5' ' ' GLY . 1.5 t80 -71.8 -49.34 39.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.665 HD22 ' CG2' ' A' ' 84' ' ' THR . 6.3 mp -57.84 -38.62 75.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.57 ' O ' ' N ' ' A' ' 93' ' ' ALA . 77.5 mt -72.61 -51.14 29.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.425 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -38.53 -34.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 110.266 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -46.09 68.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.83 ' HB3' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.87 1.07 56.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -174.1 80.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 p -81.53 6.98 13.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.013 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -91.41 -84.91 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.565 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.47 ' HB3' HG21 ' A' ' 116' ' ' ILE . 2.6 mtt180 -98.38 104.53 16.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.533 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -116.89 172.16 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.349 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.533 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.1 p -97.5 147.14 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -116.21 -173.99 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.581 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.01 115.83 7.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.5 p -108.36 149.4 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.228 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.811 HG13 ' N ' ' A' ' 57' ' ' GLY . 1.6 t -123.53 67.76 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 -42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.78 176.72 8.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -105.22 136.33 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.736 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -144.5 135.05 24.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.589 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 29.2 mt-10 -100.35 146.16 27.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -136.92 146.09 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.48 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -156.41 161.68 31.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.781 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -155.7 158.43 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.784 . . . . 0.0 109.264 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 27.7 p -109.01 -23.88 11.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.94 -52.3 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.64 -26.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.19 -75.59 0.76 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.8 OUTLIER -79.87 137.2 36.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.225 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.781 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -129.39 169.03 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 116' ' ' ILE . 2.8 pp -131.99 140.21 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.589 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -133.07 153.53 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -173.09 122.25 0.39 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.736 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 3.9 mp -81.3 51.33 1.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.613 1.196 . . . . 0.0 109.368 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 120' ' ' LEU . 9.6 t-20 61.54 139.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 mtt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.506 0.193 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -176.41 149.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -102.43 137.99 39.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.504 ' HG2' ' CH2' ' A' ' 6' ' ' TRP . 0.2 OUTLIER 169.47 -172.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 110.304 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.643 ' N ' ' CE2' ' A' ' 87' ' ' PHE . . . -110.45 -152.23 13.18 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.636 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 42.16 41.98 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 t -73.64 76.26 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.958 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 38.54 62.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -76.08 -78.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.29 -90.46 0.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.424 ' C ' HD13 ' A' ' 15' ' ' LEU . 9.5 mt -80.22 6.03 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -39.84 -33.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -56.41 22.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.413 1.071 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' CB ' HG22 ' A' ' 11' ' ' ILE . 1.5 tt0 -59.39 -30.13 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 110.333 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.682 HD21 ' N ' ' A' ' 81' ' ' ASP . 7.4 mp -69.73 -47.6 62.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -36.9 71.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -73.77 -27.77 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -80.93 123.27 28.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.401 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.698 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 1.0 OUTLIER 178.19 46.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.539 ' O ' HG23 ' A' ' 22' ' ' VAL . 2.1 mm-40 -68.33 63.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' ARG . 74.4 m-20 54.42 23.13 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 20' ' ' GLN . 9.1 t -96.53 -126.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.491 ' H ' HG12 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -57.59 -70.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 39.35 57.13 2.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.751 HD12 ' HG ' ' A' ' 88' ' ' LEU . 32.2 mt -74.6 -31.3 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.636 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 1.6 pp20? -67.42 -43.33 81.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -52.27 29.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.556 ' HB3' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -57.8 -56.11 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -46.73 -60.62 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -59.47 -18.11 36.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.32 45.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 46.47 35.54 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.556 HD12 ' HB3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -57.04 161.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 5.5 tt0 -168.75 -50.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER 167.26 80.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 t -145.32 -70.76 0.27 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.497 1.123 . . . . 0.0 109.958 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' HG2' ' NZ ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -48.87 -57.59 6.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.365 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 66.82 47.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.4 m -73.53 -86.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.408 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.824 HD12 ' HB3' ' A' ' 92' ' ' LYS . 1.4 pt? -46.22 -28.4 1.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -64.97 -57.74 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -53.87 -32.52 53.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -80.21 -25.45 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -68.07 -41.49 81.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.551 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.5 t -51.72 -42.42 62.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.969 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 46' ' ' LEU . 1.6 mt -39.9 -55.08 2.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 66.19 59.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.71 147.81 34.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.456 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.5 Cg_endo -74.88 149.07 36.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.507 1.793 . . . . 0.0 111.069 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.456 HG23 ' C ' ' A' ' 49' ' ' PRO . 50.9 t -153.83 154.29 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.78 141.35 18.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.643 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -157.9 147.64 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.583 HD21 ' HG2' ' A' ' 55' ' ' ARG . 2.4 tt -96.34 149.13 22.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.699 ' HB3' HD11 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -116.9 131.86 56.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 108.293 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.583 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -121.5 -172.8 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.19 126.42 16.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.707 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -47.38 -33.35 8.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.422 1.077 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.4 -19.39 9.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.926 HG23 HD13 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -115.6 10.67 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.389 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.471 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 6.0 tp -57.37 -41.72 80.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.876 ' HA ' HD12 ' A' ' 64' ' ' ILE . 6.1 p-10 -54.65 -48.87 71.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.3 tt0 -73.48 -39.96 64.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.926 HD13 HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -58.56 -27.78 34.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 61' ' ' ASP . 9.3 mt -61.44 -49.9 82.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 2.7 pttt -63.64 -33.49 75.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.518 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.2 mmp_? -73.64 -33.73 64.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.643 HD23 ' CG2' ' A' ' 52' ' ' ILE . 25.1 mt -61.93 -49.14 77.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -46.4 -51.83 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 2.8 mm-40 -53.3 -22.6 7.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.388 1.055 . . . . 0.0 110.258 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.539 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.4 mm-40 -93.51 -42.25 9.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' GLU . 75.2 m -91.7 -65.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.0 t30 -39.29 -30.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.84 -53.51 56.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.5 pp20? -93.53 4.51 53.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -124.72 -170.55 13.18 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 2.8 mm -91.87 162.96 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 0.738 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.486 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 6.8 t-160 -53.64 99.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.661 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.413 HG13 ' H ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -134.94 138.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.5 pt -116.78 52.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 3.4 m-70 -87.82 168.31 13.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.682 ' N ' HD21 ' A' ' 15' ' ' LEU . 70.3 m-20 -107.57 161.66 14.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.4 t -60.74 -30.23 69.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 mt -74.53 -34.58 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.656 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -77.46 -33.37 54.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -59.93 -38.16 81.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.48 82.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.234 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.643 ' CE2' ' N ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -70.99 -46.75 61.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 110.946 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.751 ' HG ' HD12 ' A' ' 25' ' ' ILE . 5.6 mp -62.43 -50.12 72.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 85' ' ' LEU . 52.9 mt -62.06 -50.24 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.466 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 7.1 mtt180 -39.07 -35.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.809 ' HB3' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -67.82 -45.28 75.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.824 ' HB3' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.78 1.1 56.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.752 ' HB1' ' OD1' ' A' ' 113' ' ' ASP . . . -170.57 78.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.7 p -76.76 0.8 19.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.025 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -87.12 -96.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.572 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.45 ' HB3' HG21 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -89.86 108.95 20.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -116.54 171.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.556 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.5 p -93.11 148.54 4.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.412 1.07 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -122.4 -174.04 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.583 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.466 ' HD3' HD13 ' A' ' 60' ' ' LEU . 6.8 ppt_? -165.99 119.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.17 150.05 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.707 HG23 ' N ' ' A' ' 57' ' ' GLY . 14.3 p -111.41 82.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -177.26 -38.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.088 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.94 176.98 8.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.443 ' O ' HD23 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -104.3 139.26 39.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.581 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -155.36 137.03 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.615 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 15.7 mt-10 -104.92 139.85 39.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.699 HD11 ' HB3' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -129.56 137.86 55.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.376 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.497 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -151.55 166.61 30.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.709 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.7 OUTLIER -153.2 159.07 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.3 p -112.49 -24.39 9.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 110.366 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -144.82 -52.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.752 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 0.3 OUTLIER 159.48 -26.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.09 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.95 -63.74 1.72 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.096 . . . . 0.0 110.955 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.1 mt-10 -82.75 127.71 33.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 0.736 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.709 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.8 OUTLIER -118.59 169.66 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 109.281 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.497 HD11 ' HA3' ' A' ' 109' ' ' GLY . 2.6 pp -132.55 140.57 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.615 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -126.38 153.14 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -169.12 116.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.581 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 3.1 mp -81.12 51.2 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' ' 120' ' ' LEU . 10.6 t-20 61.41 141.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.3 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.15 . . . . 0.0 109.952 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 mtm . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.513 0.196 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.9 -66.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.27 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.536 ' CD ' ' CZ3' ' A' ' 6' ' ' TRP . 1.3 tt0 -108.77 149.38 29.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.0 52.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.488 ' HA3' ' CD2' ' A' ' 87' ' ' PHE . . . -149.55 -70.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.461 1.101 . . . . 0.0 111.031 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.636 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -99.98 44.16 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.4 t -70.73 -53.77 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -175.29 68.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' HG2' ' CD1' ' A' ' 83' ' ' ILE . 9.3 tptt -84.93 -76.65 0.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -157.24 -82.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.435 HG22 HD12 ' A' ' 15' ' ' LEU . 12.9 mt -66.35 -8.35 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.97 -36.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -57.19 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.547 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -55.98 -26.34 47.96 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 0.0 110.354 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.533 HD23 HG21 ' A' ' 84' ' ' THR . 6.9 mp -77.91 -44.55 26.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -56.35 -30.86 63.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.393 1.058 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 3.6 m -77.01 -27.98 54.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.426 ' HB ' HD11 ' A' ' 79' ' ' ILE . 0.6 OUTLIER -89.69 156.87 18.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.957 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 2.5 ptt180 -176.45 -50.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.42 ' C ' ' N ' ' A' ' 22' ' ' VAL . 1.6 tp60 47.18 22.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' ARG . 6.4 m120 46.74 23.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.42 ' N ' ' C ' ' A' ' 20' ' ' GLN . 3.8 t -117.35 -20.38 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.49 ' CB ' ' NE2' ' A' ' 80' ' ' HIS . 21.7 m -146.89 16.49 1.23 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.565 1.166 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.957 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . -71.99 59.31 0.36 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 88' ' ' LEU . 4.3 mt -72.11 -32.55 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.636 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -73.42 -40.74 64.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.546 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -68.27 -49.94 57.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.08 -57.03 14.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.413 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . . . -44.71 -55.7 5.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -63.88 -21.41 66.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' LYS . 3.2 mm-40 -79.76 46.82 0.8 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 45.76 33.64 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -49.04 148.1 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.38 -51.62 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.607 1.192 . . . . 0.0 110.338 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -115.19 2.97 14.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.503 ' OG ' ' CD2' ' A' ' 40' ' ' LEU . 0.5 OUTLIER 64.09 14.4 8.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.452 1.095 . . . . 0.0 110.027 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 49.77 28.88 2.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m120 52.79 29.99 8.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 m -73.86 -84.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.581 HD12 ' HD2' ' A' ' 92' ' ' LYS . 0.9 OUTLIER -45.48 -30.66 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.09 -57.37 9.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -51.26 -34.57 33.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.048 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -81.97 -22.52 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.514 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -68.16 -41.03 82.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.514 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.4 t -49.33 -43.16 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.94 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.5 mt -38.97 -55.28 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.61 53.17 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.8 p -86.08 144.94 39.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.421 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.5 Cg_endo -74.98 150.96 39.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 111.019 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.458 ' C ' ' CD ' ' A' ' 51' ' ' ARG . 52.5 t -151.95 156.93 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.532 ' N ' ' CD ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -153.74 141.45 20.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.734 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -158.52 149.24 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.494 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -99.25 147.54 25.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.177 . . . . 0.0 109.251 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.587 ' HB2' HD11 ' A' ' 108' ' ' ILE . 49.6 t -112.08 130.3 55.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 108.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.494 ' HG2' HD21 ' A' ' 53' ' ' LEU . 2.0 mmm-85 -119.77 -173.46 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.8 128.72 24.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.845 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -50.68 -32.11 24.22 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.576 1.173 . . . . 0.0 111.025 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.33 -16.87 50.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.787 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -116.35 8.34 14.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.374 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD12 HG21 ' A' ' 63' ' ' ILE . 7.2 tp -54.0 -42.27 68.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.771 ' HA ' HD12 ' A' ' 64' ' ' ILE . 3.1 p30 -54.1 -49.35 69.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 2.6 tt0 -73.53 -41.3 63.21 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.587 HG23 HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -58.67 -28.38 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.82 ' HA ' HD12 ' A' ' 67' ' ' LEU . 10.0 mt -62.03 -51.97 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.428 1.08 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.523 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -60.4 -33.98 73.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.523 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.3 mmt180 -73.39 -34.86 65.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.247 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.82 HD12 ' HA ' ' A' ' 64' ' ' ILE . 6.2 mt -60.72 -48.95 79.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.633 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -45.26 -50.98 11.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.86 -23.61 45.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.53 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 2.3 mm-40 -89.72 -42.24 11.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 75' ' ' GLY . 68.5 m -91.91 -62.79 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.633 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.3 t30 -39.72 -36.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -51.51 66.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.6 pt-20 -96.84 5.92 49.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.73 -169.58 12.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 4.0 mm -93.04 163.04 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 109.338 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.488 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.2 OUTLIER -54.66 99.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.57 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.605 ' CG1' ' CD2' ' A' ' 80' ' ' HIS . 75.7 t -134.77 134.82 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.547 HD11 ' O ' ' A' ' 14' ' ' GLU . 26.1 pt -108.19 48.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.605 ' CD2' ' CG1' ' A' ' 78' ' ' VAL . 6.8 m-70 -87.43 167.62 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.627 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.665 ' O ' HD13 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -122.66 166.11 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t -54.98 -28.69 53.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.465 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 18.5 mt -69.52 -44.84 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.637 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -76.46 -33.19 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 81' ' ' ASP . 5.7 mp -60.16 -40.83 91.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.354 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -63.31 -43.8 96.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CD2' ' HA3' ' A' ' 5' ' ' GLY . 1.6 t80 -71.22 -51.16 26.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.637 HD22 ' CG2' ' A' ' 84' ' ' THR . 5.4 mp -58.17 -49.25 77.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 93' ' ' ALA . 71.6 mt -61.85 -49.26 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.1 -35.88 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -74.6 -43.65 54.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.581 ' HD2' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -85.21 0.78 50.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.577 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -177.8 80.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 t -78.97 3.21 17.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.189 . . . . 0.0 110.035 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -87.1 -78.81 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.6 ' CB ' HG21 ' A' ' 116' ' ' ILE . 1.0 OUTLIER -106.14 110.7 23.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.422 1.076 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.7 OUTLIER -116.03 172.48 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.9 p -95.37 140.42 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.21 -171.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.572 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -146.34 118.41 8.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.31 149.56 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.845 HG13 ' N ' ' A' ' 57' ' ' GLY . 2.0 t -127.48 65.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.9 -43.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.0 t -129.99 176.31 8.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.518 ' O ' HD23 ' A' ' 120' ' ' LEU . 67.5 t0 -101.66 136.5 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.383 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.531 ' CD1' ' HG ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -148.61 135.21 19.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 60.2 mt-10 -104.65 145.08 30.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.629 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -139.4 140.91 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.426 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -157.08 165.05 33.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.739 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -144.76 166.34 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.484 ' N ' HG13 ' A' ' 110' ' ' VAL . 82.7 p -114.93 -26.99 7.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.76 -50.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 1.076 . . . . 0.0 110.329 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.494 ' OD1' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 159.26 -24.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.33 -75.23 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.719 ' O ' HG22 ' A' ' 110' ' ' VAL . 15.7 tt0 -78.71 153.04 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 0.713 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.739 HG22 HG23 ' A' ' 110' ' ' VAL . 1.2 pp -135.36 167.1 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 116' ' ' ILE . 1.9 pp -132.48 140.33 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 15.0 p -133.69 154.44 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -173.33 124.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.531 ' HG ' ' CD1' ' A' ' 106' ' ' PHE . 3.4 mp -81.43 51.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.9 t30 61.38 140.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.509 0.195 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -172.98 156.32 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -121.09 146.34 46.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 176.96 161.26 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.593 ' HA3' ' CE1' ' A' ' 87' ' ' PHE . . . 70.28 152.83 0.86 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.576 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 39.19 48.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 8' ' ' GLN . 80.8 p -71.59 61.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.704 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER 38.37 52.69 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -69.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -136.75 -89.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.8 mt -75.43 -0.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.704 ' HB3' ' HA ' ' A' ' 8' ' ' GLN . . . -44.4 -38.79 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -57.68 10.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 18' ' ' THR . 0.3 OUTLIER -55.17 -34.74 64.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -61.9 -53.79 50.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.064 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -52.68 -35.87 56.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 m -77.64 -27.33 51.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 110.44 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -84.35 174.99 9.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.498 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.515 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 20.6 ptt180 168.89 -43.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.614 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.7 OUTLIER 41.92 33.18 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 48.25 23.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.757 ' O ' HG12 ' A' ' 22' ' ' VAL . 33.2 t -93.67 61.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 1.5 t 89.37 -38.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 34.53 52.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.519 HD12 ' HG ' ' A' ' 88' ' ' LEU . 63.3 mt -49.11 -23.86 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.576 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 18.4 mp0 -72.96 -57.89 3.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.429 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 2.0 mmp_? -62.76 -34.18 76.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.482 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 6.8 mmtm -65.56 -62.84 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . . . -47.17 -39.52 13.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -23.23 55.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -81.24 46.27 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 46.57 35.12 2.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -47.39 120.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -175.1 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -134.26 20.67 3.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.67 37.18 3.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 2.2 mtm180 -81.9 -149.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.253 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.558 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 7.9 t-20 86.89 1.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.493 ' CG2' ' HA ' ' A' ' 23' ' ' SER . 19.7 m -78.76 -87.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.443 1.09 . . . . 0.0 110.341 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.788 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -46.28 -24.88 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.788 ' N ' HD22 ' A' ' 40' ' ' LEU . 22.6 t70 -73.94 -54.72 7.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -47.74 -39.87 18.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -78.26 -35.02 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG3' ' CG ' ' A' ' 92' ' ' LYS . 1.5 ttmt -52.67 -34.3 51.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' LEU . 46.6 t -48.87 -47.21 43.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 43' ' ' VAL . 1.7 mt -39.7 -58.14 1.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 60.6 55.82 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.6 p -90.05 146.54 35.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.929 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.62 35.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.5 t -148.22 161.5 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 52' ' ' ILE . 31.0 ttp85 -158.47 141.69 14.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.805 HG22 HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -163.02 148.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.371 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.805 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -99.58 148.2 24.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.55 ' HB2' HD11 ' A' ' 108' ' ' ILE . 51.6 t -108.83 127.28 53.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 108.258 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.805 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -115.3 -173.63 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.23 128.35 24.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 110.36 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.72 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -49.68 -34.57 21.32 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -57.51 -20.22 29.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -114.45 8.23 16.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.115 . . . . 0.0 110.439 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 9.9 tp -52.41 -41.09 62.9 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.772 ' HA ' HD12 ' A' ' 64' ' ' ILE . 11.8 p-10 -58.0 -47.69 82.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 4.1 tt0 -73.78 -41.53 62.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -56.56 -26.41 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 61' ' ' ASP . 12.8 mt -64.97 -48.97 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.895 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -62.35 -34.1 76.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.545 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 8.9 mmt180 -75.49 -35.42 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.805 HD22 HG22 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -71.28 -42.55 68.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.895 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -46.43 -44.43 17.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.2 mm-40 -54.25 -26.29 27.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.547 ' HB2' HG23 ' A' ' 52' ' ' ILE . 8.1 mm-40 -94.57 -41.75 9.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -83.8 -66.27 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.5 t30 -40.43 -28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.412 1.07 . . . . 0.0 109.222 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -70.53 -52.8 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 71' ' ' SER . 69.5 mm-40 -73.31 -34.62 65.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 72' ' ' ASN . . . -103.18 -168.2 25.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 1.001 ' O ' HG23 ' A' ' 78' ' ' VAL . 7.4 mm -91.8 162.34 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.465 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 3.8 t-160 -49.69 99.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.583 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 76' ' ' ILE . 25.4 t -130.74 144.65 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.525 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.4 OUTLIER -112.32 50.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.782 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -86.65 138.61 31.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.522 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.699 ' H ' HD11 ' A' ' 15' ' ' LEU . 71.1 m-20 -88.63 162.68 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -27.75 38.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.554 HG23 ' NH1' ' A' ' 100' ' ' ARG . 9.8 mt -75.73 -35.69 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.672 HG22 HD22 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -80.06 -33.95 38.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.426 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.579 HD11 ' CG ' ' A' ' 80' ' ' HIS . 4.0 mp -56.27 -43.37 78.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.444 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -61.75 -41.52 97.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.593 ' CE1' ' HA3' ' A' ' 5' ' ' GLY . 2.6 t80 -71.7 -52.77 16.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.672 HD22 HG22 ' A' ' 84' ' ' THR . 4.7 mp -59.11 -36.58 75.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 93' ' ' ALA . 72.1 mt -73.4 -46.31 49.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 94' ' ' SER . 4.1 mtt180 -41.66 -41.27 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -40.94 96.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.19 0.79 56.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.71 ' HB2' ' CB ' ' A' ' 113' ' ' ASP . . . -175.77 81.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.373 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 90' ' ' ARG . 59.9 p -78.14 0.39 25.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -91.25 -80.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.594 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.487 ' CB ' HG21 ' A' ' 116' ' ' ILE . 9.4 mtt180 -100.42 109.87 22.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 110.221 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.533 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.7 OUTLIER -117.36 171.78 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.533 ' H ' HG22 ' A' ' 97' ' ' ILE . 3.4 p -95.66 122.71 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -84.92 175.24 9.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.574 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.554 ' NH1' HG23 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -142.09 100.49 3.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.147 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.1 p -106.73 149.54 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.72 HG23 ' N ' ' A' ' 57' ' ' GLY . 14.5 p -123.84 86.37 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.25 -37.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.13 176.46 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -103.89 134.91 46.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.774 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -149.42 136.09 19.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 111.059 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 13.2 mt-10 -103.1 146.6 28.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.609 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -138.67 143.02 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -152.23 163.08 30.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.738 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -153.19 162.09 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 0.769 . . . . 0.0 109.358 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.419 ' N ' HG13 ' A' ' 110' ' ' VAL . 80.6 p -112.82 -25.86 8.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -147.23 -52.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.322 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.71 ' CB ' ' HB2' ' A' ' 93' ' ' ALA . 0.2 OUTLIER 163.04 -27.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.91 -73.68 1.02 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.6 pm0 -78.77 136.64 37.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 0.778 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.738 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.0 OUTLIER -131.35 171.51 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 1.0 OUTLIER -133.29 146.73 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.564 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.26 153.63 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -173.99 122.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.774 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.7 mp -82.54 50.6 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.597 ' CG ' ' O ' ' A' ' 120' ' ' LEU . 6.8 p30 56.91 143.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.476 0.179 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.74 125.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 110.244 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.17 127.37 36.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.417 HH21 ' HE3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 175.64 167.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 134.2 -144.71 16.74 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.409 1.068 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.628 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -99.88 48.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 p -83.94 -44.81 13.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 176.62 64.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.836 ' HG2' HD12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -81.57 -76.02 0.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -158.17 -78.3 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' ALA . 13.7 mt -66.37 -7.0 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.99 -37.95 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 11.6 ptp180 -57.15 -53.83 53.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 13' ' ' ARG . 2.6 tt0 -59.62 -30.1 68.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 18' ' ' THR . 7.3 mp -70.29 -49.86 45.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -54.74 -34.74 62.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.8 m -78.83 -27.97 44.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -68.68 -170.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.585 ' N ' HG23 ' A' ' 18' ' ' THR . 0.3 OUTLIER 84.88 122.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.9 56.45 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.39 1.056 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 72.73 20.95 3.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.792 HG13 ' N ' ' A' ' 23' ' ' SER . 3.1 p -93.18 -146.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.359 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.792 ' N ' HG13 ' A' ' 22' ' ' VAL . 9.0 p -49.12 -61.08 2.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.51 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . 37.78 55.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' A' ' 88' ' ' LEU . 96.7 mt -51.8 -27.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.17 . . . . 0.0 109.386 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.628 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 14.4 pt-20 -72.95 -50.68 22.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 19' ' ' ARG . 2.3 ttt85 -60.89 -43.44 98.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -63.61 -60.39 3.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.68 -44.75 27.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.6 1.187 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.7 mmt -71.63 -20.62 61.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -80.27 46.28 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 46.66 33.93 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -50.49 126.0 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -177.85 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.337 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.58 42.21 3.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 m -140.91 -91.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 19.5 mtp180 50.22 -161.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 15.7 t30 82.23 -0.75 1.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.4 ' C ' ' N ' ' A' ' 41' ' ' ASP . 20.5 m -75.84 -90.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.854 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -43.89 -28.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.854 ' N ' HD22 ' A' ' 40' ' ' LEU . 18.9 t70 -66.88 -57.0 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -52.98 -31.92 43.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -81.15 -27.63 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.363 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.607 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -67.06 -35.04 78.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.607 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 34.6 t -56.95 -42.4 80.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.084 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 46' ' ' LEU . 1.4 mt -38.35 -49.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.343 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.472 ' CE ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER 67.81 62.51 0.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.8 p -101.22 129.93 26.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.426 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.3 Cg_endo -74.96 151.28 39.53 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.641 HG13 ' OE2' ' A' ' 74' ' ' GLU . 41.2 t -152.31 145.45 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 131.72 26.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.746 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -151.51 147.58 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.696 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -96.5 148.66 22.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.641 ' CB ' HD11 ' A' ' 108' ' ' ILE . 19.3 t -112.66 126.34 55.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.64 1.213 . . . . 0.0 108.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.696 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -113.61 -173.48 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -52.21 127.07 20.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.837 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -47.54 -25.21 3.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -62.92 -35.34 79.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -100.11 8.46 43.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.369 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.726 HD22 ' HD3' ' A' ' 100' ' ' ARG . 10.0 tp -50.06 -40.42 45.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.678 ' HA ' HD12 ' A' ' 64' ' ' ILE . 5.8 p-10 -58.17 -49.67 76.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -72.42 -41.2 66.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.6 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -54.99 -31.54 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.222 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 61' ' ' ASP . 11.8 mt -63.08 -44.83 99.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.635 1.209 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.608 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -61.64 -40.71 95.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -72.16 -35.1 68.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.746 HD13 ' HB ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -64.29 -50.37 68.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.608 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.88 -44.24 29.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 2.8 mm-40 -58.07 -24.13 57.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.366 1.042 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.492 ' HB2' HG23 ' A' ' 52' ' ' ILE . 5.8 mm-40 -93.09 -40.62 10.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' GLY . 65.7 m -87.61 -65.13 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.5 t30 -39.21 -35.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -58.59 -52.42 65.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.216 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.641 ' OE2' HG13 ' A' ' 50' ' ' VAL . 15.8 pt-20 -93.76 6.42 48.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -127.0 -173.28 13.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.8 tp -92.42 162.75 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.4 ' N ' HG13 ' A' ' 76' ' ' ILE . 2.2 t-80 -47.55 99.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.625 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.53 HG13 ' CD2' ' A' ' 80' ' ' HIS . 1.8 t -134.98 138.45 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.414 ' CD1' ' HG2' ' A' ' 14' ' ' GLU . 12.0 pt -125.94 50.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.53 ' CD2' HG13 ' A' ' 78' ' ' VAL . 54.5 m-70 -87.64 164.41 16.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.634 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.735 ' O ' HD13 ' A' ' 85' ' ' LEU . 96.6 m-20 -98.06 172.82 7.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -29.3 66.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.836 HD12 ' HG2' ' A' ' 9' ' ' LYS . 8.6 mt -74.85 -33.69 31.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.561 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -74.98 -36.51 62.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.351 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.735 HD13 ' O ' ' A' ' 81' ' ' ASP . 6.0 mp -58.4 -40.7 83.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.0 96.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.14 -51.09 26.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.633 ' HA ' HD12 ' A' ' 25' ' ' ILE . 5.6 mp -59.04 -49.84 76.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.62 ' O ' ' N ' ' A' ' 93' ' ' ALA . 54.4 mt -61.5 -51.62 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.478 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 2.8 mtt180 -38.47 -34.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.488 ' HB2' HD13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -69.11 -48.21 63.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -90.18 1.69 56.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.683 ' HB2' ' CG ' ' A' ' 113' ' ' ASP . . . -163.52 75.16 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.9 p -81.38 6.48 14.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.52 1.138 . . . . 0.0 110.048 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -95.27 -79.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.607 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.48 112.25 24.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.559 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -115.73 171.98 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.559 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.3 p -88.48 132.93 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -89.84 167.09 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.53 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.726 ' HD3' HD22 ' A' ' 60' ' ' LEU . 7.5 tmm_? -141.88 100.67 3.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.3 p -109.43 149.6 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.837 HG23 ' N ' ' A' ' 57' ' ' GLY . 8.4 p -123.06 84.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -176.7 -38.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.23 176.55 8.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -103.06 136.98 41.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.736 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.73 138.07 17.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.595 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 44.8 mt-10 -103.64 146.62 28.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.641 HD11 ' CB ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -138.01 141.03 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.617 1.198 . . . . 0.0 109.323 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.31 162.67 29.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.538 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.6 OUTLIER -148.87 161.4 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.413 ' N ' HG13 ' A' ' 110' ' ' VAL . 30.9 p -115.13 -23.26 9.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 110.355 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.476 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.14 -50.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.683 ' CG ' ' HB2' ' A' ' 93' ' ' ALA . 3.8 m-20 158.04 -23.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.38 -72.43 1.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 110' ' ' VAL . 12.1 mt-10 -80.04 139.3 36.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.538 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -128.22 168.12 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 116' ' ' ILE . 1.0 OUTLIER -132.3 140.95 46.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.595 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -130.06 153.84 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 2.0 t70 -172.11 121.15 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.736 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.8 mp -81.73 51.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.1 t-20 61.37 138.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 mmm . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.467 0.175 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.37 -32.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.08 126.33 31.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.58 -166.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.541 ' HA3' ' CD1' ' A' ' 87' ' ' PHE . . . 82.78 -73.89 2.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.611 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -101.31 45.17 0.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -60.9 2.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -170.12 58.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -75.74 -78.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -148.49 -82.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.473 ' O ' HD13 ' A' ' 15' ' ' LEU . 12.3 mt -75.55 -0.13 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.25 -45.86 17.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -52.43 -48.88 65.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 1.9 tt0 -64.51 -26.67 68.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.74 ' O ' HG22 ' A' ' 18' ' ' THR . 10.1 mp -81.08 -25.62 36.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.46 -42.21 65.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 t -71.0 -27.74 63.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -72.35 160.95 31.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.64 ' CG ' ' HB2' ' A' ' 24' ' ' ALA . 1.5 ttm-85 179.25 -59.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.751 ' HB3' HG23 ' A' ' 22' ' ' VAL . 42.0 tp60 46.81 35.21 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 52.52 21.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.751 HG23 ' HB3' ' A' ' 20' ' ' GLN . 87.8 t -71.74 -110.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.646 ' N ' HG12 ' A' ' 22' ' ' VAL . 21.6 p -84.1 -40.3 18.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.64 ' HB2' ' CG ' ' A' ' 19' ' ' ARG . . . 39.09 48.95 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 56.5 mt -74.23 -22.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.611 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 2.6 tt0 -74.0 -53.47 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.496 ' CB ' ' NH2' ' A' ' 19' ' ' ARG . 3.2 mmt180 -67.35 -45.79 75.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 10.6 mmtt -59.4 -57.96 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -47.23 -51.82 17.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -19.95 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -80.6 46.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 45.7 35.16 2.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.147 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -53.91 145.49 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -162.89 28.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.339 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 7.6 tttt 81.15 85.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m -155.37 -44.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -40.14 86.97 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 60.87 36.88 18.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.8 m -70.26 -88.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.439 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.855 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -44.92 -29.21 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.855 ' N ' HD22 ' A' ' 40' ' ' LEU . 23.2 t70 -63.47 -52.07 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 1.3 t80 -61.54 -30.08 70.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.1 t -80.65 -22.26 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.495 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -75.86 -41.42 52.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 33.3 t -60.4 -32.71 71.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.3 mt -38.06 -51.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.597 ' HE2' HH21 ' A' ' 112' ' ' ARG . 0.0 OUTLIER 70.84 67.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 60.1 m -118.57 134.21 23.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.068 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.482 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.0 Cg_endo -75.0 156.03 42.95 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.482 HG23 ' C ' ' A' ' 49' ' ' PRO . 85.3 t -155.55 159.73 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 52' ' ' ILE . 9.9 ttt180 -156.62 139.63 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.247 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.637 ' CG2' HD22 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -163.77 148.6 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.839 ' O ' HD21 ' A' ' 67' ' ' LEU . 2.7 tt -99.88 141.21 33.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.535 ' CB ' HD11 ' A' ' 108' ' ' ILE . 10.9 t -114.06 139.38 49.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.587 ' HG2' HD21 ' A' ' 53' ' ' LEU . 1.4 mtt180 -119.56 -171.76 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 110.253 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.547 ' HB3' HG23 ' A' ' 102' ' ' VAL . 7.6 mtm180 -50.47 138.2 17.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.17 -21.29 1.74 Allowed Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.447 1.092 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' OD2' ' N ' ' A' ' 59' ' ' THR . 2.4 t0 -66.57 -78.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.773 HG23 HD13 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -60.19 -7.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.445 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.429 HD21 ' CG1' ' A' ' 83' ' ' ILE . 4.8 tp -47.85 -41.02 23.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.834 ' HA ' HD12 ' A' ' 64' ' ' ILE . 8.3 p-10 -53.96 -50.04 67.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.14 -35.37 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.773 HD13 HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -62.87 -24.1 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.237 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' A' ' 61' ' ' ASP . 6.3 mt -64.65 -47.93 86.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.182 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.955 ' HA ' HD23 ' A' ' 68' ' ' LEU . 4.1 pttt -67.23 -33.87 76.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.514 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 4.3 mtp180 -74.33 -34.9 63.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.839 HD21 ' O ' ' A' ' 53' ' ' LEU . 29.3 mt -71.63 -44.26 64.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.955 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -46.97 -44.61 20.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -55.58 -24.44 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.504 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.3 mm-40 -93.3 -42.37 9.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.4 1.063 . . . . 0.0 110.33 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -85.74 -66.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.0 t30 -40.12 -30.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -58.32 -54.58 45.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -83.43 3.69 30.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.53 -173.2 13.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.413 1.071 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 77' ' ' HIS . 6.2 mm -91.64 163.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.496 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 36.3 t-80 -48.8 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.633 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.75 HG21 HG11 ' A' ' 22' ' ' VAL . 12.7 t -135.66 144.54 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 pt -118.06 51.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.476 ' H ' HG12 ' A' ' 78' ' ' VAL . 4.8 m-70 -87.23 166.77 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.63 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.7 ' N ' HD21 ' A' ' 15' ' ' LEU . 6.8 m-20 -117.13 163.29 16.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 m -58.54 -32.34 68.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.429 ' CG1' HD21 ' A' ' 60' ' ' LEU . 4.4 mt -69.87 -39.97 78.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.747 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -73.66 -35.12 65.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.368 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 81' ' ' ASP . 5.4 mp -60.07 -37.93 81.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.55 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -61.91 -47.0 86.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.541 ' CD1' ' HA3' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -71.2 -50.09 36.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.747 HD22 ' CG2' ' A' ' 84' ' ' THR . 4.2 mp -56.63 -50.34 72.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.612 ' O ' ' N ' ' A' ' 93' ' ' ALA . 67.7 mt -60.45 -51.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.467 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -38.02 -34.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -46.9 64.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -90.0 0.63 57.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.689 ' HB2' ' CG ' ' A' ' 113' ' ' ASP . . . -167.15 77.62 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.1 t -80.3 5.08 15.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -88.29 -86.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 109.565 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.81 110.75 22.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.175 . . . . 0.0 110.298 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.55 HG21 ' O ' ' A' ' 86' ' ' ALA . 0.7 OUTLIER -115.89 172.22 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.687 HG23 HG12 ' A' ' 108' ' ' ILE . 2.1 p -94.8 146.76 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.68 -170.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.612 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.4 121.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.3 p -129.8 148.61 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 102' ' ' VAL . 12.9 p -96.45 84.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.434 ' N ' ' HG2' ' A' ' 56' ' ' ARG . 7.4 tttt -162.46 -52.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 t -135.73 176.62 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.739 ' O ' HD23 ' A' ' 120' ' ' LEU . 59.3 t0 -96.88 146.53 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.894 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.65 137.96 17.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.629 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 92.5 mt-10 -101.03 142.6 32.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.687 HG12 HG23 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -135.07 137.64 50.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -154.07 152.74 24.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 1.044 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -138.74 171.64 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.552 ' N ' HG13 ' A' ' 110' ' ' VAL . 4.8 p -118.46 -28.74 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 110.479 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.597 HH21 ' HE2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -149.69 -46.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.689 ' CG ' ' HB2' ' A' ' 93' ' ' ALA . 2.8 m-20 155.52 -21.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -74.48 -76.95 0.69 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.569 1.168 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.718 ' O ' HG22 ' A' ' 110' ' ' VAL . 19.9 tt0 -78.63 153.51 31.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 110.323 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 1.044 HG22 HG23 ' A' ' 110' ' ' VAL . 2.8 pp -136.44 164.86 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.365 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.5 pt -134.48 140.49 45.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.629 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -132.67 153.62 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.234 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -172.15 120.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.894 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 3.2 mp -82.07 51.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 4.4 t30 61.38 141.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.48 0.181 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 2' ' ' ARG . 2.6 ttm105 -171.51 -71.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.92 135.84 45.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 174.27 149.1 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.581 ' HA3' ' CZ ' ' A' ' 87' ' ' PHE . . . 73.42 161.17 6.57 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.725 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 41.48 41.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' GLN . 10.5 t -76.93 71.68 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 1.8 mt-30 38.76 67.19 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.939 ' HD2' HG21 ' A' ' 83' ' ' ILE . 4.2 mttp -83.23 -76.17 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.84 -81.88 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.746 ' O ' HD13 ' A' ' 15' ' ' LEU . 7.2 mt -88.33 13.66 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.658 ' HB3' ' HA ' ' A' ' 8' ' ' GLN . . . -49.63 -39.63 36.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -54.59 -58.4 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.662 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -60.44 -24.42 65.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 110.31 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 11' ' ' ILE . 10.5 mp -71.29 -59.84 2.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -50.39 -33.19 19.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.7 m -70.87 -27.47 63.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.453 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.696 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.3 t -84.63 169.5 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.504 ' CB ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 164.2 -40.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.701 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.1 tp60 48.22 23.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.242 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 42.1 27.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 20' ' ' GLN . 33.9 t -123.66 4.91 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -156.46 -88.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 19' ' ' ARG . . . 39.82 62.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.845 HD12 ' HG ' ' A' ' 88' ' ' LEU . 40.3 mt -69.99 -23.47 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.725 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -73.79 -39.94 63.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.1 mmt-85 -70.58 -53.87 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -57.07 -56.36 22.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -46.24 -61.63 1.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -58.75 -18.62 33.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.26 45.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.3 m120 45.96 35.49 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.389 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -55.32 165.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 5.7 pt-20 174.67 -39.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 1.1 tmtt? 163.1 87.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.3 m -147.72 -72.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.062 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 3.3 mpt_? -50.83 -67.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.517 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 1.3 t-20 82.94 31.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.1 m -73.87 -85.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.848 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -45.84 -27.97 0.98 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.848 ' N ' HD22 ' A' ' 40' ' ' LEU . 9.1 t70 -66.46 -55.79 14.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -54.0 -35.35 61.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -79.26 -25.59 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -33.79 73.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' LEU . 46.6 t -59.29 -39.11 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.3 mt -39.42 -49.51 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.378 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.746 ' HE2' HH21 ' A' ' 112' ' ' ARG . 0.0 OUTLIER 68.24 64.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.34 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.9 p -105.37 140.41 21.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.481 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -74.99 160.28 40.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 110.993 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.678 HG13 ' OE2' ' A' ' 74' ' ' GLU . 67.3 t -155.27 148.41 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttp85 -146.38 137.88 24.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 110.277 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.702 ' CG2' HD22 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -156.12 147.64 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.729 ' O ' HD21 ' A' ' 67' ' ' LEU . 9.0 tt -95.47 149.09 21.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.914 ' HB2' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -116.62 136.79 52.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 108.289 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' HB2' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -120.95 -172.94 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -51.36 131.14 28.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.629 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -50.48 -20.44 3.76 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.085 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.487 ' H ' HG23 ' A' ' 102' ' ' VAL . 8.0 t0 -72.35 -35.86 68.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 0.784 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -102.05 10.0 39.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.351 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.576 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 14.2 tp -56.0 -40.85 73.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 62' ' ' GLU . 8.5 p-10 -56.39 -49.45 74.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' N ' ' CG ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER -72.18 -42.05 66.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.52 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -55.62 -35.15 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.764 HD11 ' OG ' ' A' ' 82' ' ' SER . 0.6 OUTLIER -61.74 -38.75 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.764 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -64.25 -43.32 95.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.09 -34.02 68.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.729 HD21 ' O ' ' A' ' 53' ' ' LEU . 25.8 mt -67.75 -45.68 74.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -46.05 -45.37 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.416 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.5 mm-40 -55.38 -24.92 32.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 67' ' ' LEU . 8.8 mm-40 -94.25 -42.08 9.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.566 ' OG ' HD13 ' A' ' 52' ' ' ILE . 66.4 m -84.35 -67.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.913 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 68' ' ' LEU . 4.0 t30 -39.74 -30.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -63.27 -56.1 19.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.678 ' OE2' HG13 ' A' ' 50' ' ' VAL . 10.7 pt-20 -83.73 0.99 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.58 -169.37 12.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.532 HG23 HG23 ' A' ' 78' ' ' VAL . 8.5 tp -91.86 154.21 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -51.92 99.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.595 HG11 ' CD2' ' A' ' 80' ' ' HIS . 83.2 t -134.24 144.19 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.662 HD11 ' O ' ' A' ' 14' ' ' GLU . 10.5 pt -113.38 51.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.679 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 4.5 m-70 -88.96 167.58 13.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.595 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.559 ' OD1' HD11 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -115.21 170.07 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.764 ' OG ' HD11 ' A' ' 64' ' ' ILE . 4.5 m -63.98 -32.38 73.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.939 HG21 ' HD2' ' A' ' 9' ' ' LYS . 7.1 mt -68.85 -38.1 78.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.552 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -79.48 -33.48 42.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.529 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -58.36 -35.52 72.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.24 92.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CZ ' ' HA3' ' A' ' 5' ' ' GLY . 1.5 t80 -70.79 -50.1 39.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.845 ' HG ' HD12 ' A' ' 25' ' ' ILE . 2.4 mp -60.71 -44.27 96.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.529 ' CG1' ' O ' ' A' ' 85' ' ' LEU . 4.3 mm -65.84 -46.08 89.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.485 ' NH1' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -42.86 -35.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 92' ' ' LYS . 0.4 OUTLIER -72.19 -36.93 69.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.776 ' HD2' HD23 ' A' ' 40' ' ' LEU . 2.3 mmtt -88.95 -6.41 57.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -171.68 79.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 90' ' ' ARG . 83.7 p -73.1 -2.59 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -85.67 -75.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.615 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.88 116.43 31.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.604 1.19 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.571 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -119.4 172.32 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.601 1.188 . . . . 0.0 109.271 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.571 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.5 p -86.42 149.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -152.83 166.44 32.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.602 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.461 ' NE ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -173.32 157.38 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.588 1.18 . . . . 0.0 110.299 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.7 p -125.38 150.45 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 102' ' ' VAL . 9.9 p -87.71 88.68 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.2 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.66 176.37 8.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.412 ' OD1' HD21 ' A' ' 53' ' ' LEU . 11.1 t70 -96.12 162.82 13.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -178.31 135.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 16.2 mt-10 -105.9 151.87 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.316 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.914 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -141.05 143.19 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.462 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -160.17 166.03 35.03 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.135 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 1.119 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -147.5 169.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.584 0.814 . . . . 0.0 109.334 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.477 ' N ' HG13 ' A' ' 110' ' ' VAL . 4.2 p -115.51 -24.61 8.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.746 HH21 ' HE2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -155.25 -45.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 158.03 -23.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.84 -71.88 1.24 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.697 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -77.85 141.46 39.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 0.803 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 1.119 HG22 HG23 ' A' ' 110' ' ' VAL . 1.8 pp -128.84 161.7 37.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.462 HD11 ' HA3' ' A' ' 109' ' ' GLY . 2.7 pp -132.76 140.94 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -137.76 152.81 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.246 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.511 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 6.5 t0 -175.42 121.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.736 ' H ' HD23 ' A' ' 120' ' ' LEU . 2.2 pt? -97.42 39.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.37 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.41 ' O ' ' O ' ' A' ' 120' ' ' LEU . 11.4 t-20 61.35 141.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.002 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.532 0.206 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -169.23 36.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -124.67 162.21 24.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.33 117.83 24.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 0.0 110.265 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.605 ' CA ' ' CE2' ' A' ' 87' ' ' PHE . . . 86.24 130.12 2.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.694 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 42.83 80.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 m -139.13 -51.88 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.535 1.147 . . . . 0.0 109.963 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -139.8 49.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -81.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -163.74 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.45 HG22 ' CB ' ' A' ' 14' ' ' GLU . 9.1 mt -82.78 11.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.16 -32.7 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -57.8 11.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' CB ' HG22 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -60.12 -24.04 64.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.773 ' O ' HG22 ' A' ' 18' ' ' THR . 4.6 mp -74.23 -56.8 4.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -52.48 -29.11 23.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 10.3 m -81.87 -27.47 33.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.773 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.4 t -73.06 -174.4 1.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.56 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER 85.35 120.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.48 62.47 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.62 24.96 6.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.788 HG13 ' N ' ' A' ' 23' ' ' SER . 4.1 p -94.79 -143.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.788 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -41.68 -58.42 1.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.026 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 27' ' ' ARG . . . 37.08 56.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.604 HD12 ' HG ' ' A' ' 88' ' ' LEU . 23.2 mt -65.02 -28.95 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.694 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -71.48 -40.56 70.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.627 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -69.72 -44.57 70.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.542 ' HB3' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -64.12 -61.84 2.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.415 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . . . -44.75 -52.71 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.593 1.183 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.2 ttt -64.73 -24.11 67.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' LYS . 2.6 mt-10 -78.24 47.04 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.158 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m120 44.82 35.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -51.05 120.16 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -178.31 35.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -138.72 13.47 2.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m 60.48 69.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.946 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.499 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 2.2 tpm_? -43.06 -42.66 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 2.2 t30 82.59 10.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.08 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 m -74.55 -83.84 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 92' ' ' LYS . 2.5 pt? -45.59 -29.89 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.88 -57.12 9.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -52.5 -32.7 41.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.604 1.19 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -82.41 -23.36 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -69.07 -43.1 75.28 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 28.4 t -49.75 -42.21 45.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -38.11 -54.71 1.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 mttt 65.62 60.63 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.3 p -94.89 135.71 23.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.454 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.5 Cg_endo -75.04 151.08 38.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.454 HG23 ' C ' ' A' ' 49' ' ' PRO . 58.9 t -153.57 145.95 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 -143.78 134.42 24.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.577 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -154.02 149.7 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.704 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.5 OUTLIER -99.83 144.27 29.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.544 ' CB ' HD11 ' A' ' 108' ' ' ILE . 17.1 t -108.86 127.86 54.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 108.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.704 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -112.42 -173.77 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -52.51 128.2 25.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.239 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.79 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -50.26 -29.94 16.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.45 1.094 . . . . 0.0 110.966 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.73 -21.04 60.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -113.17 6.94 17.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.448 HD11 ' HG3' ' A' ' 100' ' ' ARG . 7.4 tp -50.39 -41.79 52.52 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.57 1.169 . . . . 0.0 109.228 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.868 ' HA ' HD12 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -55.15 -49.99 70.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.441 1.088 . . . . 0.0 109.235 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.443 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.66 -37.62 65.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.565 HG23 ' CD1' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -61.0 -25.3 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' A' ' 61' ' ' ASP . 8.5 mt -63.62 -50.4 78.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.595 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.2 ptpt -64.71 -33.46 76.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 4.5 mmt85 -73.83 -34.34 64.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.266 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.577 HD23 ' CG2' ' A' ' 52' ' ' ILE . 23.9 mt -66.79 -50.5 62.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.611 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -46.92 -45.97 20.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.64 -23.47 59.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.503 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.1 mm-40 -92.65 -40.3 10.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 74' ' ' GLU . 11.5 m -89.18 -64.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.569 ' N ' ' O ' ' A' ' 68' ' ' LEU . 13.5 t30 -38.8 -34.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -53.64 55.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' SER . 4.9 pt-20 -90.74 5.46 48.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 1.186 . . . . 0.0 110.354 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.33 -172.44 13.34 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.589 1.18 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.8 tp -91.87 161.01 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.39 98.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.588 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.581 HG13 ' CD2' ' A' ' 80' ' ' HIS . 2.3 t -135.37 136.77 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.538 HD11 ' HB ' ' A' ' 18' ' ' THR . 5.2 pt -121.34 45.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.581 ' CD2' HG13 ' A' ' 78' ' ' VAL . 77.6 m-70 -88.38 166.25 14.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.618 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.656 ' OD1' HD11 ' A' ' 15' ' ' LEU . 12.4 m-20 -104.58 168.37 9.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 109.334 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p -63.19 -29.6 70.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.066 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.447 HD11 HD23 ' A' ' 60' ' ' LEU . 11.4 mt -72.74 -40.65 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.633 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -71.52 -34.85 70.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.348 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.589 HD13 ' O ' ' A' ' 81' ' ' ASP . 4.0 mp -60.17 -40.63 90.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.31 -44.0 92.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.605 ' CE2' ' CA ' ' A' ' 5' ' ' GLY . 1.3 t80 -71.35 -49.7 39.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.633 HD13 HG23 ' A' ' 84' ' ' THR . 6.5 mp -59.48 -49.82 76.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' A' ' 93' ' ' ALA . 73.8 mt -62.5 -51.45 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.584 1.178 . . . . 0.0 109.387 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.508 ' HG3' HG21 ' A' ' 97' ' ' ILE . 6.7 mtm180 -37.65 -34.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.52 ' HB3' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -68.81 -48.14 64.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 110.275 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.638 ' HB3' HD12 ' A' ' 40' ' ' LEU . 1.2 ptmt -91.11 1.08 57.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.627 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -160.57 73.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.0 p -79.58 3.29 19.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -91.66 -88.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.135 . . . . 0.0 109.575 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 114' ' ' GLY . 6.8 mtp180 -98.85 110.54 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.524 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -117.84 172.09 5.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.524 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.6 p -95.4 129.53 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -88.37 -174.84 4.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.637 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.448 ' HG3' HD11 ' A' ' 60' ' ' LEU . 7.3 tmm_? -152.4 100.68 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.4 p -105.71 149.63 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.79 HG23 ' N ' ' A' ' 57' ' ' GLY . 14.7 p -125.11 87.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.98 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 t -135.39 176.63 8.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.952 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.64 ' O ' HD23 ' A' ' 120' ' ' LEU . 1.9 t0 -98.6 138.58 35.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.801 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -153.86 137.66 16.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 48.9 mt-10 -104.78 146.14 29.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -140.47 140.2 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.45 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -157.04 167.0 33.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 1.08 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -147.26 168.16 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.507 ' N ' HG13 ' A' ' 110' ' ' VAL . 54.8 p -116.77 -26.72 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.447 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.41 -49.47 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.234 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 157.25 -22.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.51 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -76.07 -72.55 1.07 Allowed Glycine 0 CA--C 1.528 0.904 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.746 ' O ' HG22 ' A' ' 110' ' ' VAL . 19.4 tp10 -78.81 154.8 29.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 0.73 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 1.08 HG22 HG23 ' A' ' 110' ' ' VAL . 2.2 pp -136.85 162.04 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.45 HD11 ' HA3' ' A' ' 109' ' ' GLY . 2.6 pp -132.5 140.3 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.592 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.83 153.69 30.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -172.85 124.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.801 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.6 mp -84.21 50.22 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 3.9 t-20 61.21 141.56 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.956 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.562 0.22 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 179.5 -74.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.04 162.32 13.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -98.66 78.65 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.528 ' HA3' ' CD1' ' A' ' 87' ' ' PHE . . . 42.42 -126.6 4.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.609 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -36.02 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 t 55.93 -84.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.068 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' TRP . 0.5 OUTLIER -160.76 69.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.8 tptt -83.58 -80.35 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -139.8 -76.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.4 mt -77.66 1.53 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.39 -35.27 0.98 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -56.43 21.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.328 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.924 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -56.18 -30.67 62.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.264 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.554 HD11 ' OD1' ' A' ' 81' ' ' ASP . 11.1 mp -71.63 -48.39 48.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -34.01 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.0 m -74.84 -28.73 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.14 134.46 36.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.521 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 2.6 ptt180 173.72 60.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -69.23 60.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.756 ' O ' HG23 ' A' ' 22' ' ' VAL . 11.9 t30 44.46 28.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 21' ' ' ASN . 1.9 t -165.12 124.23 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER 83.53 2.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.521 ' HB2' ' HB2' ' A' ' 19' ' ' ARG . . . -76.55 59.29 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.669 HD12 ' HG ' ' A' ' 88' ' ' LEU . 6.1 mt -65.52 -27.15 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.609 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 59.5 mt-10 -71.56 -48.51 48.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -67.61 -51.34 51.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.931 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -52.66 -51.67 59.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.44 -51.46 69.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -14.8 40.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.71 45.69 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 46.01 34.53 2.04 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.931 HD12 ' C ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -58.11 167.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 109.233 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' HG23 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -124.03 -61.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.221 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.59 46.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.3 t -122.75 -71.02 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 56.3 mtm-85 62.46 -80.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 5.4 t-20 83.02 -4.69 1.27 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.7 m -76.9 -87.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.833 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -44.91 -28.1 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.833 ' N ' HD22 ' A' ' 40' ' ' LEU . 10.5 t70 -67.94 -56.43 9.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -52.78 -31.42 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -83.11 -26.63 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -65.18 -44.38 88.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.59 1.181 . . . . 0.0 109.218 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 32.4 t -47.1 -45.63 22.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 46' ' ' LEU . 1.4 mt -39.05 -55.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.36 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 61.03 54.13 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -91.21 150.87 42.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.057 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.453 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.3 Cg_endo -75.01 147.69 34.23 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 49' ' ' PRO . 60.2 t -153.67 160.76 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 50' ' ' VAL . 7.6 ttt180 -160.72 134.07 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.569 ' HB ' HD22 ' A' ' 67' ' ' LEU . 1.1 pt -154.0 148.05 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.651 HD21 ' OD1' ' A' ' 105' ' ' ASP . 2.0 tp -100.15 148.17 24.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.462 ' HB3' HD11 ' A' ' 108' ' ' ILE . 2.4 t -107.79 130.21 54.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 108.265 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG3' ' CG1' ' A' ' 63' ' ' ILE . 3.8 mmm180 -113.87 -173.19 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' HG3' ' HB ' ' A' ' 59' ' ' THR . 4.9 ptt180 -52.1 128.41 24.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.669 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -53.78 -26.31 32.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.06 -29.97 70.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 0.731 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.419 ' HB ' ' HG3' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -105.54 7.57 32.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.541 HD12 HG21 ' A' ' 63' ' ' ILE . 11.5 tp -49.33 -41.18 37.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.847 ' HA ' HD12 ' A' ' 64' ' ' ILE . 6.9 p-10 -55.17 -49.48 71.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.39 -38.79 63.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.224 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.541 HG21 HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -59.35 -26.02 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.847 HD12 ' HA ' ' A' ' 61' ' ' ASP . 9.1 mt -63.48 -49.28 83.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.848 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -66.08 -33.63 76.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.469 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.7 OUTLIER -73.43 -34.95 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.376 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.569 HD22 ' HB ' ' A' ' 52' ' ' ILE . 8.9 mt -68.89 -49.01 61.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.848 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -47.58 -44.49 26.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.22 -24.6 28.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.412 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.3 mm-40 -93.86 -41.16 9.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' GLU . 69.9 m -86.08 -67.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.042 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.536 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.3 t30 -39.82 -30.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.54 -53.64 55.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.9 pp20? -91.45 6.9 43.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.4 -169.61 12.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 76' ' ' ILE . 6.4 tp -91.8 163.49 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.561 0.801 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.68 99.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.647 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 80' ' ' HIS . 2.7 t -134.93 138.99 48.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.924 HD11 ' O ' ' A' ' 14' ' ' GLU . 1.3 pt -114.64 48.34 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.629 1.206 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.562 ' CE1' ' CD2' ' A' ' 88' ' ' LEU . 63.1 m170 -87.49 167.16 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.64 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.554 ' OD1' HD11 ' A' ' 15' ' ' LEU . 27.8 m-20 -110.91 172.09 7.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -66.61 -31.58 72.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.9 mt -71.12 -35.3 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.347 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.621 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -77.64 -33.71 53.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -59.22 -40.3 85.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.53 98.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.528 ' CD1' ' HA3' ' A' ' 5' ' ' GLY . 0.4 OUTLIER -71.41 -51.97 21.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.669 ' HG ' HD12 ' A' ' 25' ' ' ILE . 4.1 mp -57.86 -50.28 73.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.835 HD13 ' NH2' ' A' ' 96' ' ' ARG . 97.6 mt -62.47 -48.94 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.386 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.497 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 1.6 mtm-85 -39.3 -35.48 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.01 -43.71 52.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.59 ' CB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -85.46 -1.4 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.749 ' HB1' ' HG3' ' A' ' 96' ' ' ARG . . . -179.14 84.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.483 ' O ' HD11 ' A' ' 97' ' ' ILE . 19.3 t -69.33 -6.99 33.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.23 -71.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.632 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.835 ' NH2' HD13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -78.72 104.57 9.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.497 ' CD1' ' HG2' ' A' ' 90' ' ' ARG . 3.7 mt -128.64 162.1 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.03 116.16 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -83.37 -174.06 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.567 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.42 109.58 1.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.247 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.7 p -107.2 149.45 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.669 HG23 ' N ' ' A' ' 57' ' ' GLY . 11.8 p -119.59 86.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -176.65 -42.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 t -135.89 176.71 8.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.651 ' OD1' HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -88.78 142.57 27.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.513 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 7.7 t80 -141.04 166.13 25.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.726 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -137.16 143.54 42.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.818 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -148.76 134.28 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.94 163.88 36.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.915 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -141.98 171.61 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.578 ' N ' HG13 ' A' ' 110' ' ' VAL . 49.4 p -117.66 -29.58 5.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.95 -47.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.6 OUTLIER 157.62 -21.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.233 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.87 -71.74 1.17 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.776 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.3 pt-20 -77.86 154.83 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.617 0.834 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.915 HG22 HG23 ' A' ' 110' ' ' VAL . 2.6 pp -139.08 159.5 29.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 18.0 pt -129.75 140.59 48.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.726 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -146.34 153.95 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.476 ' O ' ' HA ' ' A' ' 106' ' ' PHE . 1.8 t70 -161.22 176.08 11.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.72 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -113.0 1.63 15.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 120' ' ' LEU . 28.2 t-20 37.91 44.27 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.515 0.198 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.13 82.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -124.35 146.79 48.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.23 -167.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.38 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.581 ' HA2' ' CD2' ' A' ' 87' ' ' PHE . . . 106.61 86.14 1.85 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.091 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.661 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 42.57 69.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.59 -47.03 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.48 51.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.777 ' HD2' HG21 ' A' ' 83' ' ' ILE . 10.1 mmtp -71.56 -77.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.428 ' CE ' ' HB3' ' A' ' 61' ' ' ASP . 3.9 ttmm -151.23 -86.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.606 HG22 ' HB3' ' A' ' 14' ' ' GLU . 7.6 mt -76.66 6.27 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.81 -34.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 11' ' ' ILE . 1.9 mmm180 -58.3 -57.49 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.81 ' O ' HD11 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -59.11 -25.8 64.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.967 ' O ' HG22 ' A' ' 18' ' ' THR . 7.9 mp -72.19 -54.72 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 tptm -53.02 -32.13 45.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -71.29 -27.43 63.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.967 HG22 ' O ' ' A' ' 15' ' ' LEU . 4.3 t -80.66 -150.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.776 ' N ' HG23 ' A' ' 18' ' ' THR . 0.8 OUTLIER 79.92 49.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -66.94 70.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.9 t30 51.58 31.72 8.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.598 HG11 ' CG2' ' A' ' 76' ' ' ILE . 2.2 t -156.28 122.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.243 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 3.4 p 83.49 15.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.014 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.709 ' HB1' ' HG2' ' A' ' 27' ' ' ARG . . . -77.81 63.75 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.675 HD12 ' HG ' ' A' ' 88' ' ' LEU . 52.4 mt -78.68 -14.08 13.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.661 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 4.0 pm0 -76.65 -44.39 34.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.324 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.709 ' HG2' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -79.14 -37.63 38.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -66.14 -52.98 43.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.422 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . . . -59.56 -51.25 70.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -24.77 63.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -74.44 47.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 42.19 34.8 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -50.94 -28.68 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.74 59.85 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 36' ' ' SER . 1.1 mttp -156.6 27.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.223 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 1.2 t 86.57 86.32 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.556 1.16 . . . . 0.0 110.043 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -135.85 -71.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m120 52.54 52.96 13.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.369 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.408 ' C ' ' N ' ' A' ' 41' ' ' ASP . 51.8 m -79.47 -86.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.457 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.409 HD13 HG12 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -45.37 -25.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 39' ' ' THR . 9.6 t70 -74.0 -55.01 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.399 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -47.4 -35.8 8.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.922 HG22 HD11 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -81.21 -37.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.363 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -49.59 -40.06 37.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 31.7 t -55.41 -18.14 6.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.922 HD11 HG22 ' A' ' 43' ' ' VAL . 8.5 mt -41.86 -34.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.774 ' HD2' HH21 ' A' ' 112' ' ' ARG . 9.8 ttpt 90.51 77.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 109.355 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.58 110.2 37.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.968 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.436 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -75.1 151.59 39.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.436 HG23 ' C ' ' A' ' 49' ' ' PRO . 57.7 t -153.14 161.14 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' N ' HG12 ' A' ' 50' ' ' VAL . 59.7 ttt180 -161.02 135.31 7.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.573 ' CG2' HD23 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -154.95 148.59 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.789 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -98.51 147.08 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.71 ' HB2' HD11 ' A' ' 108' ' ' ILE . 8.3 t -107.52 135.0 49.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.313 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.789 ' HG2' HD21 ' A' ' 53' ' ' LEU . 3.6 mmm180 -117.87 -174.47 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' CG ' ' HB ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -53.7 127.32 25.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.746 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -49.51 -31.24 14.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.552 1.157 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.85 -23.77 61.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -111.55 8.04 20.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.475 HD12 HG21 ' A' ' 63' ' ' ILE . 10.2 tp -49.53 -41.21 40.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.746 ' HA ' HD12 ' A' ' 64' ' ' ILE . 8.2 p-10 -56.21 -50.24 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -41.19 65.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.373 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.475 HG21 HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -55.44 -31.24 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 61' ' ' ASP . 10.3 mt -61.29 -47.51 93.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -61.1 -37.07 81.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.0 65.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.239 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.573 HD23 ' CG2' ' A' ' 52' ' ' ILE . 27.6 mt -63.44 -51.61 64.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -47.66 -47.02 29.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.542 ' N ' HD12 ' A' ' 68' ' ' LEU . 3.4 mm-40 -60.28 -22.1 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.486 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 2.6 mm-40 -93.32 -40.99 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 74' ' ' GLU . 12.7 m -88.9 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 68' ' ' LEU . 6.6 t-20 -39.51 -33.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.41 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.67 -51.17 68.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.5 pm0 -98.47 8.84 44.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.16 -169.79 12.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.598 ' CG2' HG11 ' A' ' 22' ' ' VAL . 7.2 mm -91.75 162.64 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 109.354 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.473 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -53.18 96.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.613 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.72 143.92 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.81 HD11 ' O ' ' A' ' 14' ' ' GLU . 4.9 pt -125.79 52.96 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 9.2 m-70 -86.92 167.42 14.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.612 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.793 ' O ' HD13 ' A' ' 85' ' ' LEU . 66.2 m-20 -107.45 163.7 12.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.9 t -59.27 -31.94 69.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.083 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.777 HG21 ' HD2' ' A' ' 9' ' ' LYS . 8.5 mt -70.83 -36.96 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.7 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -78.88 -29.94 44.7 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 81' ' ' ASP . 6.1 mp -61.88 -41.58 98.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.421 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -63.44 -43.31 97.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.581 ' CD2' ' HA2' ' A' ' 5' ' ' GLY . 2.0 t80 -71.38 -50.61 30.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.167 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.7 HD13 HG23 ' A' ' 84' ' ' THR . 6.3 mp -58.85 -49.13 78.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 92' ' ' LYS . 79.4 mt -62.59 -49.55 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 94' ' ' SER . 7.1 mtp180 -38.95 -35.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -44.26 70.91 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.57 1.169 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -87.87 -0.39 56.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.302 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -175.65 80.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.38 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 90' ' ' ARG . 32.3 p -79.96 3.51 19.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.059 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -89.17 -81.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.545 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.519 ' HB3' HG21 ' A' ' 116' ' ' ILE . 1.2 mtp85 -99.17 104.63 16.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -115.46 171.52 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.588 1.18 . . . . 0.0 109.29 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.632 HG23 HG12 ' A' ' 108' ' ' ILE . 2.1 p -95.38 147.47 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.34 -168.87 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.618 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 5.0 ppt_? -154.35 106.98 2.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 p -107.25 149.6 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.746 HG23 ' N ' ' A' ' 57' ' ' GLY . 14.5 p -128.93 85.53 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.21 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.82 176.51 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.929 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.84 134.53 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 119' ' ' ASP . 0.2 OUTLIER -137.44 174.16 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 111.057 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.513 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 37.0 mt-10 -154.92 144.84 21.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.71 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -141.06 144.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.76 166.21 33.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.078 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -151.97 170.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.507 0.769 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.511 ' N ' HG13 ' A' ' 110' ' ' VAL . 3.3 p -115.5 -27.28 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 110.426 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.774 HH21 ' HD2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -153.16 -44.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.523 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 159.04 -22.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.93 -75.52 0.95 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.687 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -81.71 141.67 33.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 110.282 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.625 HG22 HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -133.75 170.84 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.8 pp -131.77 141.41 45.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 14.6 p -130.2 156.72 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 106' ' ' PHE . 2.6 t0 -162.46 162.09 27.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.226 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.719 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -105.18 8.68 34.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 120' ' ' LEU . 26.2 t-20 39.3 43.77 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.977 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.514 0.197 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -134.54 154.22 51.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -110.51 145.7 37.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 151.65 2.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.624 ' CA ' ' CE2' ' A' ' 87' ' ' PHE . . . 102.67 116.24 4.14 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.496 1.123 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.662 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 41.14 39.42 0.9 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.11 76.3 9.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.547 1.155 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 38.66 60.89 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HG2' HG21 ' A' ' 83' ' ' ILE . 4.1 tptt -74.44 -77.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -133.4 -92.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 12' ' ' ALA . 8.7 mt -76.0 3.76 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 11' ' ' ILE . . . -38.73 -34.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -57.45 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.663 ' O ' HD11 ' A' ' 79' ' ' ILE . 3.0 tt0 -61.99 -22.82 65.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.185 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.98 HD11 ' OD2' ' A' ' 81' ' ' ASP . 10.4 mp -76.7 -40.69 47.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -65.55 -32.72 74.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -70.73 -28.49 64.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.414 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 15' ' ' LEU . 3.0 t -82.65 -150.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.344 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.797 ' N ' HG23 ' A' ' 18' ' ' THR . 2.5 ptt180 92.34 -24.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.367 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.608 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.4 tp60 35.01 46.68 0.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 20' ' ' GLN . 17.7 m-20 36.28 32.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 20' ' ' GLN . 3.0 t -116.22 0.88 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.7 t -148.97 -88.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.061 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 47.02 60.31 3.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 0.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.707 HD12 ' HG ' ' A' ' 88' ' ' LEU . 96.3 mt -65.67 -21.41 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.662 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -73.99 -39.86 63.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.178 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -54.6 11.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 4.5 mmtm -56.77 -55.65 31.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -47.46 -63.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -17.24 10.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 111.043 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.35 45.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 45.88 35.74 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -56.13 161.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.72 -59.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.296 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tttt 172.26 77.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' ARG . 50.0 m -145.5 -65.5 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.96 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -38.74 -66.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 5.2 t30 83.28 29.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.6 m -75.75 -75.32 0.18 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.607 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -55.01 -17.3 3.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.491 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 8.5 t70 -76.56 -57.91 3.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -51.88 -36.82 49.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.66 -30.73 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -50.71 -48.93 58.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -41.67 -30.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 46' ' ' LEU . 9.2 mt -87.82 40.64 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -55.53 -54.16 47.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER 51.83 173.33 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 110.048 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.407 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.2 Cg_endo -75.02 117.68 4.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.444 1.76 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.44 146.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.359 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -160.5 135.45 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -142.95 147.64 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' O ' HD21 ' A' ' 67' ' ' LEU . 5.6 tt -94.59 147.36 23.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.765 ' HB2' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -113.04 128.61 56.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 1.083 . . . . 0.0 108.287 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HB2' ' CG1' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -117.57 -173.88 2.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.5 128.88 27.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.882 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -49.81 -25.38 7.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.095 . . . . 0.0 110.971 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.91 -26.35 65.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 0.811 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -106.28 7.95 31.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 tp -51.95 -42.79 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.812 ' HA ' HD12 ' A' ' 64' ' ' ILE . 2.9 p30 -54.5 -47.72 72.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -73.64 -40.78 63.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.594 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -60.15 -26.58 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 61' ' ' ASP . 7.1 mt -62.35 -51.73 68.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -61.31 -34.37 75.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.513 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 5.9 mmt180 -72.79 -34.34 66.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.232 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.594 ' CD2' HD12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -60.75 -50.8 72.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -46.61 -50.86 16.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.5 mm-40 -50.27 -24.41 2.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.6 mm-40 -94.28 -42.23 9.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER -88.02 -65.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.026 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' A' ' 68' ' ' LEU . 1.8 t30 -39.49 -30.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.201 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -61.26 -55.18 34.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.7 pp20? -92.18 4.01 54.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -123.08 -173.07 13.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' ' OD1' ' A' ' 72' ' ' ASN . 9.0 tp -91.92 157.95 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.92 98.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.626 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.663 HG13 ' CD2' ' A' ' 80' ' ' HIS . 2.1 t -135.17 140.94 44.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.663 HD11 ' O ' ' A' ' 14' ' ' GLU . 23.6 pt -115.69 50.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.69 ' HB2' HD11 ' A' ' 85' ' ' LEU . 52.2 m170 -87.05 161.26 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.597 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.98 ' OD2' HD11 ' A' ' 15' ' ' LEU . 3.5 m-20 -111.89 162.52 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -33.1 68.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' A' ' 9' ' ' LYS . 39.6 mt -68.3 -40.65 82.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.738 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -77.94 -34.16 51.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.428 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 80' ' ' HIS . 5.2 mp -59.77 -41.37 90.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.56 80.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.624 ' CE2' ' CA ' ' A' ' 5' ' ' GLY . 2.1 t80 -71.24 -50.69 30.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.738 HD22 ' CG2' ' A' ' 84' ' ' THR . 6.3 mp -56.66 -37.41 70.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 93' ' ' ALA . 6.6 mm -73.46 -50.36 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.478 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 3.8 mtt85 -39.32 -35.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 1.8 mm-40 -69.03 -45.13 71.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.366 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -89.21 0.88 56.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.61 ' HB1' ' OD1' ' A' ' 113' ' ' ASP . . . -175.18 81.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.6 p -79.53 3.89 17.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -90.27 -86.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.666 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.657 ' HB3' HG21 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -93.19 104.15 16.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 110.265 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 98' ' ' VAL . 1.4 mp -111.87 171.17 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.543 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.9 p -100.7 149.26 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -124.13 -171.81 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.603 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.409 ' NE ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -148.12 135.75 20.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.2 p -117.62 149.55 19.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.882 HG13 ' N ' ' A' ' 57' ' ' GLY . 1.5 t -124.01 65.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.76 -43.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.562 1.163 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.7 t -132.85 176.35 8.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.52 135.17 33.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -131.67 170.36 14.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 45.8 mt-10 -152.17 142.61 22.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.765 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -142.39 141.04 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -155.3 162.6 31.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.876 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.6 OUTLIER -153.29 160.76 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.402 ' N ' HG13 ' A' ' 110' ' ' VAL . 78.9 p -113.79 -24.15 9.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.507 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -145.77 -52.01 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.61 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 2.0 t0 155.55 -23.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.357 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.9 -66.97 1.65 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.583 1.177 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.55 122.67 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.271 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.876 HG22 ' CG2' ' A' ' 110' ' ' VAL . 0.8 OUTLIER -116.76 169.12 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.763 ' N ' HD12 ' A' ' 116' ' ' ILE . 2.7 pp -132.16 141.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -131.19 153.87 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -161.73 166.85 26.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.712 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -112.93 3.55 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 120' ' ' LEU . 6.9 t-20 60.86 141.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.061 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.506 0.193 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.42 -169.88 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.55 143.68 43.31 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.651 HH21 ' NH2' ' A' ' 90' ' ' ARG . 28.4 ptt-85 175.67 155.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.596 ' HA2' ' CE2' ' A' ' 87' ' ' PHE . . . -171.57 -170.6 35.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.423 1.077 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.71 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -92.91 55.7 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.0 m -142.21 22.12 2.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.09 35.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.581 ' CD ' HG21 ' A' ' 83' ' ' ILE . 9.3 mmpt? -97.98 -89.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.95 -79.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mt -76.79 1.41 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.26 -35.28 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.0 mtt85 -54.93 -57.36 11.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 17' ' ' THR . 3.7 tt0 -57.89 -39.57 78.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.277 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.771 ' CD2' HG21 ' A' ' 84' ' ' THR . 0.2 OUTLIER -62.05 -41.42 98.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -58.89 -43.01 90.89 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -65.23 -27.77 68.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -93.65 125.76 38.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.525 HH21 HD11 ' A' ' 88' ' ' LEU . 4.4 mtt180 159.09 50.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -69.4 58.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 75.8 m-20 57.07 28.06 14.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.629 ' O ' HG12 ' A' ' 22' ' ' VAL . 39.2 t -98.68 9.83 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER 171.65 -64.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.987 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 39.54 57.56 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.838 HD12 ' HG ' ' A' ' 88' ' ' LEU . 94.7 mt -75.83 -27.52 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.71 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 1.9 pp20? -65.78 -46.59 78.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.429 ' CG ' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -71.93 -52.3 17.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.711 ' HZ3' ' H ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -55.12 -44.06 74.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -59.95 -60.7 3.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -10.83 9.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.73 46.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 51.21 30.39 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.5 HD12 ' HG2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -52.92 159.68 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -173.51 -46.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 110.349 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER 166.49 76.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.437 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 70.0 m -135.88 -77.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.984 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.537 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -49.01 -79.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 110.259 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 5.5 m-20 84.63 45.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.711 ' H ' ' HZ3' ' A' ' 28' ' ' LYS . 89.2 m -75.64 -81.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.864 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -46.19 -28.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.864 ' N ' HD22 ' A' ' 40' ' ' LEU . 7.5 t70 -66.86 -56.49 10.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -50.57 -34.71 26.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 111.052 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.44 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -83.04 -22.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -65.87 -41.59 91.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 46.6 t -45.73 -44.95 14.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -37.54 -49.3 1.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.4 mttt 67.55 64.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.67 137.35 32.05 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 138.84 23.61 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.7 t -143.58 149.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.69 131.74 18.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 110.341 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.818 HG22 HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -153.85 148.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.8 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -98.91 148.46 23.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.453 ' CB ' HD11 ' A' ' 108' ' ' ILE . 2.6 t -111.51 124.58 52.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 108.247 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.8 ' HG2' HD21 ' A' ' 53' ' ' LEU . 2.0 mmm180 -112.63 -172.79 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.7 128.44 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.554 ' HA2' ' HB2' ' A' ' 60' ' ' LEU . . . -48.89 -33.94 14.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.57 -35.02 73.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -98.41 7.68 45.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.396 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.554 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 7.9 tp -56.18 -42.42 77.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.845 ' HA ' HD12 ' A' ' 64' ' ' ILE . 4.7 p-10 -53.77 -48.27 69.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -74.2 -39.98 62.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -61.87 -24.29 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.845 HD12 ' HA ' ' A' ' 61' ' ' ASP . 8.7 mt -64.38 -49.32 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.189 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 1.012 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -65.72 -34.64 78.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.364 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 2.7 mmt180 -72.86 -35.19 67.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.818 HD22 HG22 ' A' ' 52' ' ' ILE . 1.1 mt -72.29 -44.39 62.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.012 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.22 -46.12 23.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.6 mt-10 -55.06 -23.66 21.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 3.1 mm-40 -93.29 -40.82 10.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.564 1.165 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 73' ' ' LYS . 54.7 m -89.46 -66.9 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.967 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -39.73 -29.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -56.88 -53.44 57.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.25 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.2 pp20? -86.01 3.86 40.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.61 -172.78 14.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -90.89 163.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.806 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.487 ' N ' HD13 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -53.76 97.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.585 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.616 HG11 ' ND1' ' A' ' 80' ' ' HIS . 47.4 t -136.63 145.75 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.533 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -110.83 49.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.616 ' ND1' HG11 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -85.72 153.53 22.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.524 ' HA ' HG23 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -112.92 167.18 10.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.416 1.072 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 56.7 m -53.81 -25.81 21.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.029 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.581 HG21 ' CD ' ' A' ' 9' ' ' LYS . 10.8 mt -73.71 -45.1 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.772 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -78.48 -32.29 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.362 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.592 HD11 ' CD2' ' A' ' 80' ' ' HIS . 1.7 mp -57.72 -44.82 86.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.29 -37.28 86.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.596 ' CE2' ' HA2' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -72.51 -50.27 27.05 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.558 1.161 . . . . 0.0 110.963 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.838 ' HG ' HD12 ' A' ' 25' ' ' ILE . 6.7 mp -64.66 -37.16 86.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 85' ' ' LEU . 51.9 mt -71.77 -49.46 45.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.651 ' NH2' HH21 ' A' ' 4' ' ' ARG . 5.8 mtt180 -39.36 -39.96 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 2.6 mm-40 -63.93 -43.68 95.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 89' ' ' ILE . 2.3 ptmt -88.59 -0.99 57.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.618 ' HB2' ' CG ' ' A' ' 113' ' ' ASP . . . -169.2 79.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' ARG . 11.5 p -76.67 -0.45 23.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -84.77 -94.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -95.18 114.02 25.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.255 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.549 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -119.33 172.6 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.549 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.4 p -97.37 131.2 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.418 ' CG ' ' H ' ' A' ' 100' ' ' ARG . 4.2 t-160 -102.6 -176.57 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.622 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.455 ' CD ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -148.01 110.75 4.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.3 p -106.52 150.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 102' ' ' VAL . 7.7 p -121.09 87.21 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.25 -42.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.5 p -135.57 176.33 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.731 ' O ' HD23 ' A' ' 120' ' ' LEU . 42.3 t0 -95.48 134.04 38.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.234 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.63 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -145.28 134.98 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.621 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 43.8 mt-10 -106.69 144.62 33.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.48 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -136.59 137.42 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -150.89 150.33 22.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.744 ' CG2' HG22 ' A' ' 116' ' ' ILE . 0.8 OUTLIER -141.21 158.24 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.1 p -116.04 -21.32 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.349 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -142.41 -54.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.618 ' CG ' ' HB2' ' A' ' 93' ' ' ALA . 6.1 m-20 154.02 -23.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.18 -68.87 1.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -86.88 135.32 33.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 0.794 . . . . 0.0 110.299 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.913 HD12 ' N ' ' A' ' 117' ' ' ILE . 0.6 OUTLIER -124.33 172.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.913 ' N ' HD12 ' A' ' 116' ' ' ILE . 1.5 pt -133.12 140.34 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.654 HG13 HD11 ' A' ' 116' ' ' ILE . 17.9 m -124.16 153.4 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -168.65 113.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.731 HD23 ' O ' ' A' ' 105' ' ' ASP . 1.8 mp -82.84 50.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' LEU . 51.4 t-20 39.65 43.66 1.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 mtt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.509 0.195 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.4 ' O ' ' OE2' ' A' ' 3' ' ' GLU . 28.1 ptt180 -97.6 172.82 7.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.542 ' HG2' ' CH2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -123.51 160.84 26.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.446 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.6 OUTLIER 176.22 70.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.573 ' HA3' ' CD1' ' A' ' 87' ' ' PHE . . . -151.09 -60.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.66 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -96.25 44.07 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.36 67.28 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.545 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 0.3 OUTLIER 50.77 56.32 8.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.22 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -73.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -136.02 -85.56 0.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.68 HG22 ' HB2' ' A' ' 14' ' ' GLU . 8.6 mt -84.33 13.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.545 ' HB3' ' HA ' ' A' ' 8' ' ' GLN . . . -45.04 -32.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -57.21 -58.33 8.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.924 ' O ' HD11 ' A' ' 79' ' ' ILE . 3.0 mt-10 -59.91 -28.55 67.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.17 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.626 HD23 HG21 ' A' ' 84' ' ' THR . 7.2 mp -69.82 -47.09 64.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -57.57 -37.24 72.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.3 m -67.69 -28.83 68.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -88.94 127.09 35.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.364 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.794 ' HG2' ' HB2' ' A' ' 24' ' ' ALA . 6.4 ttp-105 176.38 37.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.45 71.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' ARG . 51.4 m-80 53.48 32.81 14.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.793 HG13 ' N ' ' A' ' 23' ' ' SER . 2.6 p -94.77 -147.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.793 ' N ' HG13 ' A' ' 22' ' ' VAL . 3.6 m -43.1 -55.45 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.794 ' HB2' ' HG2' ' A' ' 19' ' ' ARG . . . 38.27 44.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 88' ' ' LEU . 98.0 mt -71.45 -20.25 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.66 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 11.0 pt-20 -73.15 -52.38 14.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -65.67 -45.7 81.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.63 ' HB3' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.81 -60.39 3.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -44.74 -57.31 3.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -21.64 64.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 28' ' ' LYS . 2.5 mm-40 -80.7 46.56 0.88 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 45.16 34.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.63 HD12 ' HB3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -51.85 154.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -169.33 -61.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.372 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -176.06 80.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 m -151.17 -79.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.032 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -39.92 -57.59 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 67.28 46.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 41' ' ' ASP . 18.7 m -74.5 -84.07 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.83 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -46.73 -26.78 1.01 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.587 1.179 . . . . 0.0 109.268 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.83 ' N ' HD22 ' A' ' 40' ' ' LEU . 8.9 t70 -68.26 -56.26 9.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -52.11 -36.92 52.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -80.21 -24.45 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -36.62 82.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' LEU . 48.4 t -52.56 -43.37 65.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' SER . 1.4 mt -38.28 -56.19 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER 66.37 61.61 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 m -103.65 141.25 22.11 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.495 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -75.03 160.07 40.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.495 HG23 ' C ' ' A' ' 49' ' ' PRO . 70.1 t -156.09 160.0 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.465 1.103 . . . . 0.0 109.206 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.401 ' N ' HG12 ' A' ' 50' ' ' VAL . 10.5 ttt180 -155.62 130.3 9.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.833 ' HB ' HD22 ' A' ' 67' ' ' LEU . 4.9 pt -148.23 148.3 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.69 ' O ' HD21 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -102.57 142.74 33.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.56 ' CB ' HD11 ' A' ' 108' ' ' ILE . 41.1 t -109.63 134.42 51.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.241 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.46 ' CG ' HD21 ' A' ' 53' ' ' LEU . 5.3 mtm180 -118.32 -172.95 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -51.47 127.62 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.805 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -48.37 -29.93 7.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.12 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.31 -27.92 66.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 0.813 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -107.71 8.67 29.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.495 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 11.2 tp -50.4 -41.27 51.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.767 ' HA ' HD12 ' A' ' 64' ' ' ILE . 5.4 p-10 -56.96 -49.68 74.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -72.53 -40.55 66.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.251 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.1 -33.16 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' ' 61' ' ' ASP . 10.2 mt -59.75 -45.42 94.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.534 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -62.62 -37.81 87.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -35.35 66.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.833 HD22 ' HB ' ' A' ' 52' ' ' ILE . 11.3 mt -63.57 -51.33 65.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -47.71 -45.87 29.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 2.3 mm-40 -57.71 -23.4 51.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.626 ' HB2' HG22 ' A' ' 52' ' ' ILE . 5.9 mm-40 -93.19 -41.24 10.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 74' ' ' GLU . 68.2 m -87.3 -65.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.951 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.5 t30 -39.19 -30.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -61.76 -53.82 50.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.6 pt-20 -95.22 7.72 45.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.81 -171.84 13.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 76' ' ' ILE . 9.3 tp -91.53 163.08 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -54.09 98.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 109.67 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.643 ' CG2' HG21 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -134.73 137.96 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.302 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.924 HD11 ' O ' ' A' ' 14' ' ' GLU . 2.0 pt -116.08 48.57 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 28.5 m170 -86.99 167.1 14.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.546 ' H ' HD21 ' A' ' 15' ' ' LEU . 75.7 m-20 -108.84 173.18 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.466 ' OG ' HD12 ' A' ' 67' ' ' LEU . 15.3 m -69.29 -31.01 69.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.0 mt -74.67 -37.15 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.748 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -72.75 -39.01 67.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 81' ' ' ASP . 3.6 mp -59.68 -41.15 90.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.548 ' CB ' ' NH2' ' A' ' 100' ' ' ARG . . . -60.01 -46.92 87.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CD1' ' HA3' ' A' ' 5' ' ' GLY . 0.9 OUTLIER -72.89 -50.85 21.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.748 HD22 ' CG2' ' A' ' 84' ' ' THR . 6.0 mp -55.61 -52.32 64.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.83 HG22 ' CD1' ' A' ' 97' ' ' ILE . 48.0 mt -61.51 -50.03 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.541 ' CG ' HG13 ' A' ' 97' ' ' ILE . 1.6 mtt85 -37.72 -34.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -46.91 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.757 ' CB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.04 1.26 55.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.824 ' O ' HD11 ' A' ' 97' ' ' ILE . . . -169.61 79.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.8 p -83.4 15.13 3.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -96.88 -88.86 0.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 109.634 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HD3' HD12 ' A' ' 116' ' ' ILE . 2.1 mtp180 -100.35 104.56 16.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.83 ' CD1' HG22 ' A' ' 89' ' ' ILE . 38.0 mm -113.99 167.57 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.517 ' N ' HG22 ' A' ' 97' ' ' ILE . 2.2 p -87.9 148.18 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -111.61 179.31 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.572 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.548 ' NH2' ' CB ' ' A' ' 86' ' ' ALA . 0.6 OUTLIER -141.02 101.67 4.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.6 p -102.09 145.07 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.805 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.5 p -122.8 85.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.03 -41.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.3 t -135.34 176.38 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.03 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -97.89 134.82 40.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.487 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -146.97 138.76 24.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.586 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 15.0 mt-10 -103.77 146.41 28.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.568 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -138.56 143.87 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' ' 117' ' ' ILE . . . -159.78 164.51 34.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.951 HG23 HG22 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -148.93 168.74 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.466 ' N ' HG13 ' A' ' 110' ' ' VAL . 3.2 p -114.2 -24.93 8.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -155.8 -44.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 110.34 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.493 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 157.72 -22.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.438 ' O ' ' CD ' ' A' ' 96' ' ' ARG . . . -78.2 -75.0 0.99 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.655 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.3 mt-10 -78.46 141.72 38.05 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.532 0.784 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.951 HG22 HG23 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -128.41 164.1 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.437 HD11 ' HA3' ' A' ' 109' ' ' GLY . 2.7 pp -132.57 140.43 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.586 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -136.92 153.58 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -173.34 126.94 0.43 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.487 HD11 ' CZ ' ' A' ' 106' ' ' PHE . 4.6 mp -81.85 51.07 1.65 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 9.3 t-20 61.32 141.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.246 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.901 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.534 ' H2 ' ' NH1' ' A' ' 4' ' ' ARG . 27.3 mtt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.431 0.158 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 -58.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -103.33 126.12 50.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.534 ' NH1' ' H2 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -179.6 42.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.569 ' HA2' ' CD1' ' A' ' 87' ' ' PHE . . . -109.16 -172.17 20.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.712 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -80.29 -77.9 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 6' ' ' TRP . 41.2 t 36.52 58.69 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.469 ' HA ' ' CB ' ' A' ' 12' ' ' ALA . 1.3 tt0 39.95 72.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' H ' ' HB2' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -76.04 -80.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -133.2 -79.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.441 HG22 ' HB3' ' A' ' 14' ' ' GLU . 6.2 mt -85.27 13.75 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 8' ' ' GLN . . . -43.93 -35.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -58.22 8.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.978 ' O ' HD11 ' A' ' 79' ' ' ILE . 6.7 tt0 -60.65 -27.69 68.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.902 ' O ' HG22 ' A' ' 18' ' ' THR . 8.9 mp -68.79 -56.22 8.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -35.37 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.08 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -69.67 -27.15 64.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.358 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.902 HG22 ' O ' ' A' ' 15' ' ' LEU . 1.6 t -78.06 177.24 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 2.6 ptt-85 85.29 120.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.6 tp60 -125.16 69.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 59.93 28.89 18.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.647 HG12 ' N ' ' A' ' 23' ' ' SER . 97.9 t -104.71 -108.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.599 1.187 . . . . 0.0 109.19 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.647 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -52.95 -66.69 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.048 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 27' ' ' ARG . . . 39.24 56.5 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.708 HD12 ' CB ' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -68.98 -32.7 55.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.712 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 12.9 pt-20 -66.02 -41.98 90.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.443 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -65.35 -58.9 4.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.668 ' HE2' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -57.07 -42.4 80.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -59.25 -65.84 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.411 ' C ' ' H ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -55.44 -16.05 3.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.04 47.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.411 ' H ' ' C ' ' A' ' 30' ' ' MET . 50.7 m-20 49.05 35.07 6.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.491 HG23 ' N ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -62.19 170.67 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.491 ' N ' HG23 ' A' ' 33' ' ' ILE . 2.8 tt0 -179.83 39.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.23 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 48.2 60.65 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.7 m -118.6 -40.15 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -80.85 -63.82 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 73.63 44.48 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.4 m -80.81 -77.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 110.376 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.961 HD13 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -50.82 -20.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.961 ' N ' HD13 ' A' ' 40' ' ' LEU . 25.2 t0 -79.52 -53.86 6.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -49.9 -39.18 38.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -80.72 -42.24 20.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.499 ' CE ' ' HE3' ' A' ' 92' ' ' LYS . 10.3 mmtm -49.45 -29.66 6.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.211 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.9 t -54.66 -22.29 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.958 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 46' ' ' LEU . 6.2 mt -83.51 5.97 22.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.222 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -47.59 -40.59 19.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.596 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 79.5 -176.7 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.61 1.194 . . . . 0.0 109.976 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.3 Cg_endo -74.95 125.24 9.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.549 HG22 ' CD ' ' A' ' 74' ' ' GLU . 40.2 t -133.49 162.06 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -156.4 134.76 11.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.525 ' HB ' ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -152.84 148.65 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.439 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -101.61 148.45 25.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.837 ' HB2' HD11 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -107.0 139.67 41.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.276 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HG2' HD21 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -120.33 -174.15 2.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -52.47 128.26 25.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.744 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -51.01 -24.78 8.95 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.469 ' H ' HG23 ' A' ' 102' ' ' VAL . 1.5 t70 -62.54 -30.09 71.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 0.71 . . . . 0.0 109.212 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -105.4 7.45 33.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.489 HD22 ' HD3' ' A' ' 100' ' ' ARG . 9.7 tp -49.21 -40.46 33.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.749 ' HA ' HD12 ' A' ' 64' ' ' ILE . 8.8 p-10 -58.08 -49.53 76.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.44 -40.17 64.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.49 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -56.94 -27.45 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 61' ' ' ASP . 10.3 mt -63.78 -49.91 80.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.545 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -63.11 -33.15 74.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.5 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -74.94 -34.75 62.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.525 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 25.6 mt -65.16 -50.28 66.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.624 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -47.01 -45.38 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 1.6 mt-10 -59.05 -23.26 61.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 mm-40 -92.62 -40.34 10.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' GLU . 13.2 m -89.84 -65.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 68' ' ' LEU . 2.3 t30 -39.75 -33.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -52.01 -50.27 61.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.18 . . . . 0.0 109.329 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.549 ' CD ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -108.69 14.69 24.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.247 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.08 -168.91 12.73 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.485 HG23 HG23 ' A' ' 78' ' ' VAL . 10.5 tp -92.33 157.67 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.403 ' CD2' HD21 ' A' ' 72' ' ' ASN . 0.4 OUTLIER -61.24 99.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 109.604 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 80' ' ' HIS . 3.1 t -134.67 136.02 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.978 HD11 ' O ' ' A' ' 14' ' ' GLU . 1.4 pt -109.24 46.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.651 ' HB2' HD11 ' A' ' 85' ' ' LEU . 63.6 m170 -86.96 163.84 16.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.626 ' O ' HD13 ' A' ' 85' ' ' LEU . 86.2 m-20 -105.06 166.6 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.4 t -64.9 -29.63 70.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.8 mt -74.48 -38.64 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.654 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -74.49 -35.15 63.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.428 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.82 ' O ' HD12 ' A' ' 89' ' ' ILE . 4.6 mp -59.46 -41.05 88.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.409 ' HA ' HG23 ' A' ' 97' ' ' ILE . . . -61.15 -46.72 89.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.569 ' CD1' ' HA2' ' A' ' 5' ' ' GLY . 1.3 t80 -71.57 -49.46 40.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.708 ' CB ' HD12 ' A' ' 25' ' ' ILE . 6.2 mp -56.32 -51.23 69.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.82 HD12 ' O ' ' A' ' 85' ' ' LEU . 8.0 mt -61.05 -51.81 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.524 ' NH2' ' CE1' ' A' ' 87' ' ' PHE . 1.3 mtm180 -38.88 -34.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -71.88 -46.46 57.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.633 ' HB3' HD21 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -89.85 0.78 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.729 ' HB1' ' HG3' ' A' ' 96' ' ' ARG . . . -176.06 84.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.72 -6.14 24.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -96.09 -77.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.576 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.729 ' HG3' ' HB1' ' A' ' 93' ' ' ALA . 1.0 OUTLIER -67.85 106.31 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.493 ' CD1' ' HG2' ' A' ' 90' ' ' ARG . 5.8 mt -132.82 159.85 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.3 p -111.65 125.02 68.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -101.36 -173.29 2.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.584 1.178 . . . . 0.0 109.615 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.489 ' HD3' HD22 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -166.63 130.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.3 p -117.24 149.93 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.777 HG13 ' O ' ' A' ' 102' ' ' VAL . 9.0 p -116.74 80.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.23 -38.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 t -135.22 176.99 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.423 ' OD1' HD11 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -87.33 136.92 32.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -133.86 168.93 17.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.517 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 20.0 mt-10 -152.51 141.82 21.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.837 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -145.63 142.5 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.211 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.4 ' O ' HG13 ' A' ' 117' ' ' ILE . . . -162.59 175.6 38.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.73 HG23 HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -153.22 164.65 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.263 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.449 ' N ' HG13 ' A' ' 110' ' ' VAL . 37.8 p -113.12 -26.65 8.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.524 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.63 -49.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.332 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.1 OUTLIER 153.92 -21.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.6 -70.15 1.31 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.4 OUTLIER -86.89 135.89 33.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.311 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.73 HG22 HG23 ' A' ' 110' ' ' VAL . 2.2 pp -115.51 163.56 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.6 pp -131.6 139.63 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.517 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -138.04 154.5 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -164.63 170.9 15.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -110.84 12.33 22.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 120' ' ' LEU . 3.2 t30 60.94 142.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.954 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.528 0.204 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 166.77 150.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' O ' ' CB ' ' A' ' 4' ' ' ARG . 3.1 pt-20 -124.9 130.04 51.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.228 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.544 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER 161.85 156.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.337 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.566 ' HA3' ' CZ ' ' A' ' 87' ' ' PHE . . . 132.97 82.95 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.655 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER 42.26 53.51 4.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.96 -58.0 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -157.66 64.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 0.0 110.265 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.664 ' HG2' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -84.12 -83.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -153.84 -77.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.485 ' C ' HD13 ' A' ' 15' ' ' LEU . 11.5 mt -77.15 0.97 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.29 -33.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.31 -56.6 19.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.624 ' O ' HD11 ' A' ' 79' ' ' ILE . 3.9 tt0 -60.61 -25.28 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.485 HD13 ' C ' ' A' ' 11' ' ' ILE . 9.0 mp -73.69 -50.15 22.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -56.75 -34.98 68.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -67.33 -33.95 76.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.385 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -84.92 153.8 22.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.681 ' CA ' ' HB2' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -175.91 -41.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.873 ' O ' HG23 ' A' ' 22' ' ' VAL . 1.3 tp60 38.07 31.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.2 m-20 45.46 25.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.068 . . . . 0.0 109.251 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 20' ' ' GLN . 53.9 t -104.65 -102.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.704 ' N ' HG12 ' A' ' 22' ' ' VAL . 11.0 m -79.6 16.92 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.681 ' HB2' ' CA ' ' A' ' 19' ' ' ARG . . . -66.71 61.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.752 HD11 HD22 ' A' ' 40' ' ' LEU . 82.2 mt -67.21 -20.51 26.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.655 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 42.0 mt-10 -65.37 -59.0 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.398 1.061 . . . . 0.0 110.221 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -47.93 73.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 7.3 mttt -55.18 -53.96 49.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -49.42 -61.94 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -14.11 14.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.24 45.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 47.84 34.04 3.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.348 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -53.56 169.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.438 ' N ' HG23 ' A' ' 33' ' ' ILE . 2.2 tt0 -127.02 -64.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.03 34.62 3.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.481 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 22.7 t 67.58 9.63 7.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? 41.02 28.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 36' ' ' SER . 69.6 m-20 54.16 43.37 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.436 HG21 ' HD2' ' A' ' 28' ' ' LYS . 97.7 m -80.22 -83.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.407 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -47.38 -24.32 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' ' C ' ' A' ' 39' ' ' THR . 8.7 t70 -76.08 -53.5 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.387 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -48.03 -38.31 16.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.491 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -79.9 -39.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -26.27 25.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -78.47 -5.65 53.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 43' ' ' VAL . 13.1 mt -44.89 -38.57 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 48' ' ' SER . 14.9 mtpt -136.97 -95.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER 155.82 -57.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 48' ' ' SER . 18.4 Cg_endo -74.96 127.65 10.88 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.461 HG13 ' OE2' ' A' ' 74' ' ' GLU . 28.3 t -150.12 136.68 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -147.96 142.94 26.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.779 HG22 HD22 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -151.24 147.18 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.668 ' O ' HD21 ' A' ' 67' ' ' LEU . 7.3 tt -96.49 147.15 24.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.692 ' HB2' HD11 ' A' ' 108' ' ' ILE . 4.3 t -114.38 123.43 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.491 ' HG2' HD21 ' A' ' 53' ' ' LEU . 3.6 mtm180 -111.59 -173.06 2.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.459 ' CG ' ' HB ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -50.93 126.78 17.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.358 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.772 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -48.79 -29.72 8.29 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.582 1.176 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.04 -22.95 65.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 59' ' ' THR . 0.5 OUTLIER -112.03 7.84 19.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.483 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 11.1 tp -51.58 -41.37 61.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.16 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.82 ' HA ' HD12 ' A' ' 64' ' ' ILE . 7.3 p-10 -56.89 -48.52 77.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.411 1.069 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.3 tt0 -73.95 -38.97 64.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.558 HD12 ' HG ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -59.74 -24.79 30.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 61' ' ' ASP . 10.4 mt -65.73 -48.63 81.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 1.027 ' HA ' HD23 ' A' ' 68' ' ' LEU . 12.7 pttt -66.43 -34.47 78.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.64 -37.07 65.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.779 HD22 HG22 ' A' ' 52' ' ' ILE . 14.9 mt -71.62 -43.27 66.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.027 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.69 -46.46 29.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.2 mm-40 -54.6 -24.02 19.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.8 mm-40 -93.66 -42.17 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.454 ' C ' ' N ' ' A' ' 73' ' ' LYS . 1.4 m -87.31 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 110.079 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.535 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -41.21 -28.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.59 -59.41 4.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.461 ' OE2' HG13 ' A' ' 50' ' ' VAL . 8.9 pm0 -80.64 3.12 23.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.4 -169.92 13.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.816 HG21 HG21 ' A' ' 22' ' ' VAL . 5.4 tp -93.59 165.12 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.22 99.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.412 ' O ' ' ND2' ' A' ' 72' ' ' ASN . 2.0 t -134.72 143.97 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.624 HD11 ' O ' ' A' ' 14' ' ' GLU . 18.9 pt -117.81 53.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.455 ' CE1' ' CD2' ' A' ' 88' ' ' LEU . 53.2 m170 -87.33 167.62 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.528 ' O ' HD13 ' A' ' 85' ' ' LEU . 84.1 m-20 -107.04 174.64 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.28 -31.66 69.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.664 HD12 ' HG2' ' A' ' 9' ' ' LYS . 5.8 mt -74.3 -36.22 42.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.708 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -73.02 -35.07 66.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.419 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -59.66 -39.11 83.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.458 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -64.69 -43.71 92.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.566 ' CZ ' ' HA3' ' A' ' 5' ' ' GLY . 2.2 t80 -71.12 -49.94 38.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.708 HD22 ' CG2' ' A' ' 84' ' ' THR . 3.5 mp -59.22 -48.97 79.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.58 HG23 ' NZ ' ' A' ' 92' ' ' LYS . 78.9 mt -63.16 -50.51 78.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.604 1.19 . . . . 0.0 109.379 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.493 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 4.8 mtm180 -38.33 -34.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -66.75 -44.24 82.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.58 ' NZ ' HG23 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -88.64 -15.77 34.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -154.27 74.49 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 90' ' ' ARG . 4.3 p -73.41 -2.62 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -89.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.643 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.474 ' HD3' ' CG1' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -93.32 108.49 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.554 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.8 OUTLIER -118.21 171.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.601 1.188 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.554 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.1 p -98.01 152.08 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.15 -172.04 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.3 126.73 14.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.5 p -119.59 149.92 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.772 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.9 p -129.22 84.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.96 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.3 t -135.24 176.99 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -89.47 134.89 33.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -138.32 171.06 14.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 47.9 mt-10 -151.81 145.36 24.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.752 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -143.25 140.6 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.418 ' O ' ' CG1' ' A' ' 117' ' ' ILE . . . -160.75 148.79 17.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.168 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 1.061 HG23 HG23 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -132.68 163.52 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 0.724 . . . . 0.0 109.314 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.428 ' N ' HG13 ' A' ' 110' ' ' VAL . 31.9 p -112.29 -25.15 9.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.391 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -151.28 -49.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.47 ' OD2' ' HB1' ' A' ' 93' ' ' ALA . 0.7 OUTLIER 157.4 -23.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.236 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.79 -73.91 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.5 pm0 -78.4 136.11 37.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 1.061 HG23 HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -123.12 162.75 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 109' ' ' GLY . 5.3 pt -132.51 139.16 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -133.01 154.38 39.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.56 166.41 32.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.613 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -114.37 6.58 16.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.608 1.193 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 120' ' ' LEU . 8.9 t-20 61.03 142.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 110.019 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.52 0.2 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -139.35 144.07 38.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -106.24 125.53 51.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.433 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 1.0 OUTLIER 168.77 164.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.28 -95.19 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.71 ' CH2' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -98.52 58.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.2 t -93.81 -42.61 9.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.91 55.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.88 -79.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.97 -69.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.608 ' O ' HD13 ' A' ' 15' ' ' LEU . 23.9 mt -74.69 -1.93 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.14 -42.26 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 11.6 ptp180 -56.52 -53.72 54.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 18' ' ' THR . 5.1 tt0 -56.06 -35.08 66.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.998 HD23 HG21 ' A' ' 84' ' ' THR . 11.2 mp -61.4 -56.19 23.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -32.03 33.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 m -82.71 -27.42 31.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.402 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.6 ' CG2' ' HE2' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -84.54 -173.6 4.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.404 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.932 ' O ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER 77.72 13.05 1.84 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 19' ' ' ARG . 23.8 mm-40 33.61 40.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 t30 41.69 27.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.932 HG12 ' O ' ' A' ' 19' ' ' ARG . 13.1 p -96.91 -3.96 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -149.32 -78.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 34.7 67.05 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.672 HD12 ' HG ' ' A' ' 88' ' ' LEU . 4.9 mt -45.4 -25.4 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.71 ' HA ' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -65.41 -41.44 93.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.252 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ALA . 3.3 mtp180 -76.12 -49.75 16.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -58.31 -39.38 79.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -64.57 -61.03 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -11.86 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.67 46.43 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.9 m120 50.82 35.31 11.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.589 HG23 ' N ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -60.48 175.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.589 ' N ' HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER 86.22 19.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.359 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -112.89 12.51 19.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 1.8 m 84.88 73.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -95.82 -34.03 12.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 110.26 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 61.29 14.44 5.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 m -75.38 -81.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.402 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.483 ' CD1' ' HB3' ' A' ' 91' ' ' GLU . 2.1 pt? -47.35 -27.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -67.23 -58.26 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -52.23 -31.35 31.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -83.93 -25.09 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 45' ' ' SER . 2.7 pttt -64.17 -45.81 86.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.405 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 8.3 t -56.46 -20.07 18.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.035 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' A' ' 46' ' ' LEU . 9.0 mt -83.05 6.51 18.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD3' ' NH1' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -52.02 -50.79 60.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.551 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER 49.79 -179.5 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 18.1 Cg_endo -75.0 131.29 14.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 51' ' ' ARG . 99.5 t -149.16 160.84 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' N ' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -155.43 139.68 16.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.76 HD13 ' OG ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -162.4 148.54 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.855 ' O ' HD11 ' A' ' 67' ' ' LEU . 2.5 tt -97.7 148.94 22.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.506 ' SG ' ' CD1' ' A' ' 60' ' ' LEU . 6.7 t -118.77 139.25 51.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.1 -173.97 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.076 . . . . 0.0 110.318 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -52.85 143.03 17.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.778 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -50.91 -19.35 3.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -79.43 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -2.11 5.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.376 1.048 . . . . 0.0 110.405 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.599 ' O ' HD13 ' A' ' 64' ' ' ILE . 4.5 tp -48.41 -41.16 28.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -57.28 -50.06 74.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -41.57 67.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -57.66 -34.59 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.715 HD11 ' HB2' ' A' ' 82' ' ' SER . 0.5 OUTLIER -62.22 -38.47 81.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.767 ' HA ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -64.98 -43.01 94.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -34.79 72.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.255 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.855 HD11 ' O ' ' A' ' 53' ' ' LEU . 52.2 mt -67.97 -44.08 77.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.767 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -47.48 -44.84 25.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.6 mm-40 -56.3 -24.09 41.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 3.7 mm-40 -93.12 -40.6 10.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.76 ' OG ' HD13 ' A' ' 52' ' ' ILE . 38.3 m -91.15 -64.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.005 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.597 ' N ' ' O ' ' A' ' 68' ' ' LEU . 4.9 t30 -40.13 -32.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -55.62 -50.97 68.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -92.87 6.7 46.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.17 -171.53 13.95 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 77' ' ' HIS . 7.5 tp -92.18 154.98 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 0.759 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -45.11 99.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.589 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.458 HG11 HH21 ' A' ' 19' ' ' ARG . 3.9 t -134.74 142.3 40.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.496 HG13 HG21 ' A' ' 18' ' ' THR . 3.3 pt -127.87 37.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.6 ' HE2' ' CG2' ' A' ' 18' ' ' THR . 11.7 m170 -87.45 164.28 16.26 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 109.567 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.569 ' HA ' ' CG1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -101.38 167.79 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.715 ' HB2' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -63.42 -29.75 70.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.536 HG13 HD21 ' A' ' 60' ' ' LEU . 2.3 mt -65.09 -40.6 89.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.998 HG21 HD23 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -78.75 -32.39 46.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -57.64 -36.72 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.434 ' HA ' ' CG2' ' A' ' 97' ' ' ILE . . . -63.76 -45.16 91.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.433 ' CE2' ' O ' ' A' ' 4' ' ' ARG . 1.8 t80 -72.03 -51.52 21.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.054 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.982 HD13 HG23 ' A' ' 84' ' ' THR . 6.6 mp -56.19 -50.44 71.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.657 ' O ' ' N ' ' A' ' 93' ' ' ALA . 67.9 mt -64.32 -50.46 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.503 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -38.63 -35.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.577 ' HB2' HG21 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -72.32 -44.98 61.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -89.06 0.73 56.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.732 ' HB1' ' HG3' ' A' ' 96' ' ' ARG . . . -176.62 84.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.532 ' O ' HD11 ' A' ' 97' ' ' ILE . 10.3 p -69.02 -6.33 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.09 -75.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.645 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.732 ' HG3' ' HB1' ' A' ' 93' ' ' ALA . 0.3 OUTLIER -70.38 104.64 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.532 HD11 ' O ' ' A' ' 94' ' ' SER . 1.8 mt -133.09 159.49 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.729 HG23 HG12 ' A' ' 108' ' ' ILE . 2.2 p -108.48 128.91 63.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -172.14 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.486 ' HG3' HD13 ' A' ' 60' ' ' LEU . 6.9 tmm_? -169.14 114.85 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.58 149.0 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.778 HG13 ' N ' ' A' ' 57' ' ' GLY . 1.5 t -112.84 67.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.418 ' N ' ' HG2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -165.83 -42.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.2 p -129.7 176.25 8.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.487 ' O ' HD23 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -98.31 147.01 25.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.548 ' CD1' ' HG ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -151.81 134.33 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 118' ' ' VAL . 54.3 mt-10 -105.68 148.98 26.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.737 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -141.95 146.36 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.495 ' C ' ' CG1' ' A' ' 117' ' ' ILE . . . -167.71 170.55 41.84 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.437 1.086 . . . . 0.0 110.982 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -146.08 168.41 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.497 ' N ' HG13 ' A' ' 110' ' ' VAL . 18.3 p -114.09 -27.94 7.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.408 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -149.99 -48.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.2 OUTLIER 154.17 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.41 -70.99 1.19 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.635 ' O ' HG22 ' A' ' 110' ' ' VAL . 5.7 mm-40 -78.55 161.35 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 110.283 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.7 157.67 43.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.495 ' CG1' ' C ' ' A' ' 109' ' ' GLY . 6.9 pt -132.4 140.3 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 107' ' ' GLU . 14.9 p -145.44 154.29 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -173.39 128.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.348 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.548 ' HG ' ' CD1' ' A' ' 106' ' ' PHE . 4.5 mp -81.55 50.82 1.55 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.3 t-20 61.43 140.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtt . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.439 0.162 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.81 -49.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 4.1 pt-20 -39.24 133.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 19.7 ptt180 44.64 -168.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.86 -151.67 16.96 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.693 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -99.05 57.24 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.97 -53.71 3.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.43 47.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HG2' ' CD1' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -65.59 -67.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -164.33 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mt -73.84 -0.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.01 -41.38 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 14' ' ' GLU . 14.8 ptt180 -55.01 -54.63 40.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' N ' ' CG ' ' A' ' 13' ' ' ARG . 2.2 tt0 -59.34 -27.72 66.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.991 ' O ' HG22 ' A' ' 18' ' ' THR . 0.5 OUTLIER -72.0 -52.09 18.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.256 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -52.48 -34.99 51.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.221 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 m -60.74 -27.23 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.991 HG22 ' O ' ' A' ' 15' ' ' LEU . 4.7 t -85.61 -149.42 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.784 ' N ' HG23 ' A' ' 18' ' ' THR . 13.2 ttp-105 85.04 36.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.02 62.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER 64.92 25.53 12.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.038 HG21 ' CG2' ' A' ' 78' ' ' VAL . 8.0 p -100.19 75.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 22' ' ' VAL . 1.7 t 89.03 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.951 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 32.55 54.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.5 HD12 ' HG ' ' A' ' 88' ' ' LEU . 93.4 mt -71.27 -35.43 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.693 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 6.3 pt-20 -67.59 -47.05 70.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -54.19 44.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -56.53 -56.89 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.385 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.45 -61.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -18.9 40.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.594 1.184 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -80.39 46.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.9 m120 45.98 35.14 2.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -54.89 156.49 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.432 1.083 . . . . 0.0 109.233 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -175.07 34.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.364 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp 69.51 80.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -150.9 -48.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -64.12 -38.43 91.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 61.83 34.49 17.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.6 m -74.76 -82.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.844 HD13 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -47.55 -27.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.844 ' N ' HD13 ' A' ' 40' ' ' LEU . 25.5 t0 -66.7 -56.93 8.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 42' ' ' PHE . 3.0 t80 -51.85 -33.27 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.607 1.192 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -83.76 -21.97 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.433 1.083 . . . . 0.0 109.349 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.493 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -66.36 -44.13 84.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.493 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 34.2 t -45.1 -44.97 10.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 46' ' ' LEU . 1.7 mt -39.26 -41.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.517 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 42.06 38.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.8 m -62.74 145.73 95.36 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.477 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.1 Cg_endo -75.02 149.27 36.35 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.477 HG23 ' C ' ' A' ' 49' ' ' PRO . 62.7 t -155.11 161.27 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' N ' HG12 ' A' ' 50' ' ' VAL . 1.3 ttt180 -158.61 139.5 12.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.42 1.075 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.485 ' CG2' ' HB2' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -156.74 146.81 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.681 HD21 ' HG2' ' A' ' 55' ' ' ARG . 7.4 tt -93.81 148.98 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.641 ' HB2' HD11 ' A' ' 108' ' ' ILE . 27.4 t -118.91 126.29 51.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 108.354 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.681 ' HG2' HD21 ' A' ' 53' ' ' LEU . 7.2 mtm180 -115.63 -171.94 2.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -49.98 127.29 16.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.816 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -46.41 -26.68 2.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.13 -33.73 76.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 0.754 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.957 HG23 HD13 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -99.4 8.19 44.84 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 64' ' ' ILE . 8.0 tp -55.35 -45.22 76.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -52.12 -49.12 64.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -36.37 67.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.957 HD13 HG23 ' A' ' 59' ' ' THR . 0.5 OUTLIER -61.16 -27.5 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -62.6 -50.13 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HG3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -63.07 -34.24 77.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.56 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 1.1 mtp180 -73.47 -33.49 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -61.36 -50.37 73.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.362 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.3 OUTLIER -46.37 -50.46 16.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 73' ' ' LYS . 7.1 mm-40 -51.58 -24.63 5.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.485 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 2.7 mm-40 -94.41 -41.42 9.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.592 1.183 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 74' ' ' GLU . 20.1 m -86.47 -66.34 0.92 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.029 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.553 ' N ' ' O ' ' A' ' 68' ' ' LEU . 3.4 t30 -40.46 -29.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -62.49 -51.16 68.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.0 pp20? -95.53 3.31 54.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.01 -172.63 13.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.427 ' HA ' HD12 ' A' ' 76' ' ' ILE . 8.3 tp -92.7 162.46 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.428 0.722 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.19 100.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.619 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.038 ' CG2' HG21 ' A' ' 22' ' ' VAL . 2.9 t -134.25 137.41 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.586 HD11 ' HB ' ' A' ' 18' ' ' THR . 46.1 pt -114.72 49.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.476 ' CD2' ' CG1' ' A' ' 78' ' ' VAL . 6.9 m-70 -87.14 167.96 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.574 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.883 ' O ' HD13 ' A' ' 85' ' ' LEU . 3.5 m-20 -111.87 172.51 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.3 t -68.6 -30.81 69.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.548 HD13 HH21 ' A' ' 100' ' ' ARG . 13.7 mt -74.1 -35.03 40.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.632 ' CG2' HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -76.57 -33.59 58.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.473 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.883 HD13 ' O ' ' A' ' 81' ' ' ASP . 5.8 mp -58.82 -41.89 87.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.416 ' O ' HG21 ' A' ' 97' ' ' ILE . . . -63.9 -41.63 97.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -72.31 -49.75 32.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.632 HD22 ' CG2' ' A' ' 84' ' ' THR . 5.5 mp -61.53 -40.15 93.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.586 ' O ' ' N ' ' A' ' 93' ' ' ALA . 75.8 mt -69.65 -51.61 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.419 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -38.76 -34.71 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.453 ' HG3' ' CG2' ' A' ' 25' ' ' ILE . 2.5 mm-40 -70.59 -46.23 63.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.593 ' HB3' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.31 1.95 55.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.586 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -170.52 79.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.4 p -79.58 3.42 18.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.443 1.089 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -87.15 -88.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.551 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -100.71 111.83 24.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.7 OUTLIER -115.54 171.84 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 97' ' ' ILE . 2.5 p -97.05 148.39 5.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.62 -168.96 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.563 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.548 HH21 HD13 ' A' ' 83' ' ' ILE . 4.7 ppt_? -160.66 119.35 2.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.0 p -112.33 149.49 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.816 HG23 ' N ' ' A' ' 57' ' ' GLY . 9.4 p -116.17 85.71 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.96 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.9 t -135.54 176.88 8.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.7 ' O ' HD23 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -98.4 137.11 37.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.638 ' CZ ' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -152.99 139.47 18.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.611 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 32.6 mt-10 -111.34 148.95 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.641 HD11 ' HB2' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -135.91 137.21 49.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.363 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.42 ' CA ' HG13 ' A' ' 117' ' ' ILE . . . -149.33 154.93 26.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 1.032 HG23 HG22 ' A' ' 116' ' ' ILE . 0.8 OUTLIER -143.56 156.75 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 p -115.13 -20.77 10.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.183 . . . . 0.0 110.379 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -144.73 -53.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.253 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 5.3 m-20 155.55 -23.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.46 -70.56 1.33 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.462 ' O ' HG22 ' A' ' 110' ' ' VAL . 2.4 pm0 -79.2 136.98 37.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 1.032 HG22 HG23 ' A' ' 110' ' ' VAL . 2.2 pp -122.79 166.56 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.42 HG13 ' CA ' ' A' ' 109' ' ' GLY . 1.2 pt -132.75 140.3 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.611 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 17.9 m -122.43 153.45 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.3 110.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.7 HD23 ' O ' ' A' ' 105' ' ' ASP . 3.0 mp -84.12 50.21 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 120' ' ' LEU . 12.2 t-20 61.24 140.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.515 0.197 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.36 161.06 43.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.359 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -125.28 162.1 25.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -129.06 128.46 43.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.554 ' HA3' ' CD1' ' A' ' 87' ' ' PHE . . . -146.88 -82.77 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.644 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -85.46 -80.62 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.02 -87.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 6' ' ' TRP . 10.2 tt0 -158.48 54.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.354 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.713 ' HD2' HG21 ' A' ' 83' ' ' ILE . 3.4 mmtt -57.37 -65.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HE2' ' CB ' ' A' ' 61' ' ' ASP . 12.5 tttt -154.28 -84.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.438 HG22 ' HB3' ' A' ' 14' ' ' GLU . 10.8 mt -75.5 5.16 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 8' ' ' GLN . . . -39.31 -37.14 0.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.162 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -58.69 6.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.511 ' HG2' HD12 ' A' ' 79' ' ' ILE . 1.3 tt0 -59.24 -24.93 63.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.966 ' O ' HG22 ' A' ' 18' ' ' THR . 0.9 OUTLIER -69.17 -60.4 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' O ' ' NH1' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -51.26 -30.53 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.398 1.061 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 2.2 m -69.48 -29.54 67.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.966 HG22 ' O ' ' A' ' 15' ' ' LEU . 6.9 t -81.9 -144.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.77 ' N ' HG23 ' A' ' 18' ' ' THR . 0.0 OUTLIER 35.14 67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.375 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.22 60.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' ARG . 7.5 m-20 62.3 23.61 13.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.543 ' O ' HG12 ' A' ' 22' ' ' VAL . 73.6 t -100.19 3.92 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 24' ' ' ALA . 20.5 t -176.05 -73.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.984 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 23' ' ' SER . . . 37.77 60.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.498 HD12 ' CA ' ' A' ' 88' ' ' LEU . 11.0 mt -50.55 -25.65 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.644 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 10.6 pt-20 -71.84 -52.87 15.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' N ' ' CG ' ' A' ' 26' ' ' GLU . 18.6 ttt180 -58.12 -50.67 72.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 110.244 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.1 -57.68 11.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 25' ' ' ILE . . . -45.27 -62.82 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.9 mmm -57.18 -21.72 35.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.65 47.21 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 44.93 35.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.362 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -54.12 158.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 13.9 tt0 -174.41 -48.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 34' ' ' GLU . 10.0 mttt 169.38 82.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.239 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -146.49 -72.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.978 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -51.64 -49.89 61.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 60.17 44.73 12.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 41' ' ' ASP . 84.3 m -76.46 -83.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.808 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -46.12 -25.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.808 ' N ' HD22 ' A' ' 40' ' ' LEU . 7.6 t70 -70.99 -55.68 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -51.42 -37.21 47.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -27.8 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.8 ' CE ' HH21 ' A' ' 96' ' ' ARG . 0.0 OUTLIER -63.58 -34.71 78.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' LEU . 37.5 t -53.11 -45.13 68.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.041 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 46' ' ' LEU . 1.5 mt -39.94 -58.08 1.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 mttt 66.79 60.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.97 144.56 30.25 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.438 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.2 Cg_endo -74.99 144.65 30.54 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.438 HG23 ' C ' ' A' ' 49' ' ' PRO . 23.8 t -153.04 161.31 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.3 142.5 9.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.52 ' CG2' ' HB2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -154.05 148.6 13.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 109.247 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.573 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -97.81 145.2 26.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.77 ' HB2' HD11 ' A' ' 108' ' ' ILE . 3.9 t -103.33 139.06 39.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.573 ' HG2' HD21 ' A' ' 53' ' ' LEU . 1.2 mmm180 -119.98 -174.1 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 59' ' ' THR . 4.3 mtm180 -57.86 127.69 33.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 110.265 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.834 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -46.78 -26.64 2.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -63.63 -35.04 79.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.754 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -99.7 9.15 43.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.454 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.532 HD12 HG21 ' A' ' 63' ' ' ILE . 11.6 tp -51.35 -43.76 61.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' CB ' ' HE2' ' A' ' 10' ' ' LYS . 7.8 p-10 -52.67 -49.91 64.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -35.66 68.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.211 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.565 HG22 HD13 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -61.6 -25.92 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.615 HG23 ' O ' ' A' ' 80' ' ' HIS . 1.6 mm -63.01 -48.19 89.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.726 ' HA ' HD21 ' A' ' 68' ' ' LEU . 1.5 tttp -65.03 -34.53 78.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.473 ' HB2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -74.66 -32.85 62.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.516 ' CD2' ' HB ' ' A' ' 52' ' ' ILE . 13.5 mt -64.64 -54.15 36.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.726 HD21 ' HA ' ' A' ' 65' ' ' LYS . 3.3 pp -54.62 -39.64 68.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.683 ' HG2' HD12 ' A' ' 68' ' ' LEU . 4.6 mm-40 -60.81 -24.03 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.52 ' HB2' ' CG2' ' A' ' 52' ' ' ILE . 1.6 mm-40 -95.22 -35.39 11.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.252 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -91.45 -63.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.9 t-20 -43.36 -32.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -53.98 -38.44 65.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' SER . 1.0 OUTLIER -119.53 13.83 12.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.257 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.66 -167.75 12.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 77' ' ' HIS . 7.2 tp -90.59 154.29 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 0.734 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.425 ' N ' HG13 ' A' ' 76' ' ' ILE . 7.3 t-160 -48.42 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.4 1.063 . . . . 0.0 109.565 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.3 t -136.34 140.24 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.511 HD12 ' HG2' ' A' ' 14' ' ' GLU . 35.1 pt -127.57 49.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.615 ' O ' HG23 ' A' ' 64' ' ' ILE . 50.9 m170 -90.0 165.8 13.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.901 ' OD1' HD11 ' A' ' 15' ' ' LEU . 1.3 m-20 -105.22 164.67 11.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.433 ' CB ' ' HD3' ' A' ' 100' ' ' ARG . 1.1 t -55.05 -35.3 64.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.394 1.059 . . . . 0.0 109.998 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.713 HG21 ' HD2' ' A' ' 9' ' ' LYS . 2.4 mt -63.59 -42.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.744 HG23 HD13 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -75.9 -35.11 59.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 110.401 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.459 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 1.3 mp -58.29 -41.65 84.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 90' ' ' ARG . . . -62.83 -44.76 95.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.554 ' CD1' ' HA3' ' A' ' 5' ' ' GLY . 0.9 OUTLIER -71.49 -50.99 26.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.744 HD13 HG23 ' A' ' 84' ' ' THR . 6.1 mp -57.92 -50.22 74.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 93' ' ' ALA . 86.6 mt -61.93 -52.9 55.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.484 ' HG2' ' CD1' ' A' ' 97' ' ' ILE . 3.2 mtt180 -39.77 -35.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -45.99 61.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.619 ' CB ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -89.19 0.62 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.759 ' HB1' ' HG3' ' A' ' 96' ' ' ARG . . . -176.15 83.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.429 ' O ' HD11 ' A' ' 97' ' ' ILE . 89.9 p -69.22 -6.05 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -95.96 -75.49 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.559 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.8 HH21 ' CE ' ' A' ' 44' ' ' LYS . 4.8 ppt_? -70.83 104.38 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.54 HG22 ' H ' ' A' ' 98' ' ' VAL . 4.7 mt -128.99 170.96 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.54 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.5 p -117.44 135.49 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.619 ' HA ' HH21 ' A' ' 100' ' ' ARG . 57.8 t-80 -97.01 169.78 9.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.559 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.619 HH21 ' HA ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -143.99 115.47 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.8 p -116.01 149.33 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.834 HG23 ' N ' ' A' ' 57' ' ' GLY . 9.9 p -124.7 81.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.355 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -177.29 -38.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.3 m -134.89 176.6 8.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.03 136.79 32.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.82 170.54 15.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 46.4 mt-10 -154.78 140.22 17.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.785 ' N ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -145.45 142.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.44 ' O ' ' CG1' ' A' ' 117' ' ' ILE . . . -166.82 162.77 36.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -133.01 168.87 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.261 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.508 ' N ' HG13 ' A' ' 110' ' ' VAL . 73.1 p -114.81 -28.53 7.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -148.36 -49.27 0.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER 155.4 -21.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.11 -68.18 1.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.687 ' O ' HG22 ' A' ' 110' ' ' VAL . 18.9 mm-40 -81.09 150.17 28.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 0.726 . . . . 0.0 110.332 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.684 HG22 HG23 ' A' ' 110' ' ' VAL . 2.0 pp -128.26 159.85 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 109' ' ' GLY . 5.9 pt -131.52 139.96 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 107' ' ' GLU . 14.3 p -140.18 157.22 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -169.1 168.08 10.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.738 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -106.57 14.37 27.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 120' ' ' LEU . 7.5 t-20 61.12 141.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.1 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.518 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 3.8 mtt . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.526 0.203 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.518 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 157.34 44.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.92 127.0 51.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.456 HH11 ' N ' ' A' ' 4' ' ' ARG . 0.7 OUTLIER 47.2 -174.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.22 91.25 1.95 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.569 1.168 . . . . 0.0 111.01 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.722 ' CH2' ' CB ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -94.86 29.57 2.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -35.1 79.46 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.576 1.172 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 170.86 72.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.92 -77.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -138.47 -85.91 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 mt -77.4 3.07 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.27 -35.06 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -57.53 11.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.757 ' O ' HD11 ' A' ' 79' ' ' ILE . 1.4 mt-10 -59.65 -30.73 68.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 80' ' ' HIS . 1.1 tt -65.83 -52.29 51.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -55.37 -37.41 67.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -27.6 68.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.436 ' HB ' ' CG1' ' A' ' 79' ' ' ILE . 0.5 OUTLIER -87.78 128.42 35.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.538 ' CG ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 176.17 40.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.225 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -69.47 59.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.02 27.34 12.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.802 HG13 ' N ' ' A' ' 23' ' ' SER . 2.7 p -90.44 -146.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.802 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -49.87 -63.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.019 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.538 ' HB2' ' CG ' ' A' ' 19' ' ' ARG . . . 45.09 53.28 7.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 88' ' ' LEU . 62.9 mt -76.59 -30.47 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.722 ' CB ' ' CH2' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -66.03 -42.19 89.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -74.26 -50.44 18.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' O ' ' HB ' ' A' ' 33' ' ' ILE . 10.4 mttm -56.24 -44.43 79.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 109.371 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -61.98 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -12.33 7.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -79.08 46.39 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 51.1 30.9 5.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -57.32 137.28 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.24 -64.71 1.02 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 110.352 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.44 45.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' ASN . 9.8 t -136.59 -88.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.1 OUTLIER 64.91 -71.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER 80.13 10.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 40' ' ' LEU . 3.7 m -77.11 -92.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.345 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.828 HD22 ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -43.5 -27.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.828 ' N ' HD22 ' A' ' 40' ' ' LEU . 21.0 t70 -69.9 -56.44 7.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -49.28 -38.75 28.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -78.3 -30.5 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -60.01 -35.18 74.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' LEU . 48.3 t -50.88 -46.28 60.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.075 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 43' ' ' VAL . 1.6 mt -39.2 -51.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.4 mttt 68.6 63.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.9 p -96.45 139.56 21.75 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.435 ' C ' HG23 ' A' ' 50' ' ' VAL . 18.4 Cg_endo -75.0 151.58 39.68 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.435 HG23 ' C ' ' A' ' 49' ' ' PRO . 44.5 t -152.91 161.38 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -160.16 142.43 13.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.663 ' HB ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -161.49 147.44 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.593 HD21 ' HG2' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -99.42 148.03 24.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.431 ' HB2' HD11 ' A' ' 108' ' ' ILE . 23.5 t -108.01 129.4 55.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.593 ' HG2' HD21 ' A' ' 53' ' ' LEU . 8.9 mmt180 -116.19 -174.75 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.223 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.86 126.59 20.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.802 ' N ' HG23 ' A' ' 102' ' ' VAL . . . -47.25 -28.22 4.3 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -61.3 -31.66 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.417 0.716 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 59' ' ' THR . 0.4 OUTLIER -103.53 7.97 37.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.483 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 7.4 tp -49.64 -40.91 41.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.827 ' HA ' HD12 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -57.09 -49.38 76.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -38.59 67.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.236 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.646 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -57.39 -29.61 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.233 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.827 HD12 ' HA ' ' A' ' 61' ' ' ASP . 9.2 mt -61.9 -46.6 96.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.655 ' HA ' HD23 ' A' ' 68' ' ' LEU . 6.9 tttt -63.75 -39.23 93.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' HB2' HD13 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -70.44 -34.57 72.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.663 HD13 ' HB ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -65.27 -51.88 57.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.655 HD23 ' HA ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -49.12 -44.47 42.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.28 -24.76 45.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.497 ' HB2' HG23 ' A' ' 52' ' ' ILE . 4.1 mm-40 -93.64 -41.04 9.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 74' ' ' GLU . 14.3 m -85.73 -65.2 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.563 ' N ' ' O ' ' A' ' 68' ' ' LEU . 5.5 t30 -42.24 -29.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -63.75 -48.65 76.12 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 71' ' ' SER . 3.9 pt-20 -97.05 6.84 47.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -126.51 -171.46 13.12 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.555 1.159 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 78' ' ' VAL . 6.7 mm -91.61 161.46 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -47.24 98.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.597 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 76' ' ' ILE . 83.2 t -135.8 141.99 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.757 HD11 ' O ' ' A' ' 14' ' ' GLU . 21.8 pt -122.12 51.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.534 ' ND1' ' CD2' ' A' ' 88' ' ' LEU . 65.0 m170 -88.26 167.24 13.74 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.551 1.157 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.553 ' HA ' HG23 ' A' ' 64' ' ' ILE . 6.7 m-20 -112.99 175.63 5.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.227 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -68.87 -32.27 71.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 110.064 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.513 HG23 ' NH1' ' A' ' 100' ' ' ARG . 14.9 mt -70.18 -35.59 63.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.658 HG23 HD13 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -77.42 -36.67 52.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.514 ' O ' ' CG1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.67 -35.73 75.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.25 -50.29 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.34 -48.41 42.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.849 ' HA ' HD12 ' A' ' 25' ' ' ILE . 7.4 mp -56.29 -38.86 71.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 93' ' ' ALA . 68.4 mt -74.18 -50.84 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.409 HH21 ' HE ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -38.81 -36.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -43.48 32.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.242 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.631 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -83.11 -3.25 57.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.648 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -177.45 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.09 0.99 16.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.09 -77.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.544 ' HB3' HG21 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -101.29 108.51 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.52 HG22 ' H ' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -117.47 171.49 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.59 HG23 HG12 ' A' ' 108' ' ' ILE . 5.2 p -100.07 148.29 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.591 ' NE2' ' CE2' ' A' ' 106' ' ' PHE . 46.8 p-80 -111.76 -172.88 2.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.677 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.514 ' O ' ' CG ' ' A' ' 100' ' ' ARG . 7.9 ptp180 -144.25 117.09 8.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.381 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.51 143.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.802 HG23 ' N ' ' A' ' 57' ' ' GLY . 7.4 p -128.85 81.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.75 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.1 m -134.38 176.52 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.425 1.078 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.96 141.41 28.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.591 ' CE2' ' NE2' ' A' ' 99' ' ' HIS . 0.2 OUTLIER -144.92 166.46 25.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.645 ' O ' ' HA ' ' A' ' 118' ' ' VAL . 0.7 OUTLIER -149.49 146.61 27.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.867 HG23 HG12 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -146.9 145.06 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.365 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.24 169.42 38.34 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -154.0 170.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.5 ' N ' HG13 ' A' ' 110' ' ' VAL . 3.3 p -115.89 -26.38 7.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.42 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -153.79 -45.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 160.77 -24.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.57 -75.08 1.0 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.673 ' O ' HG22 ' A' ' 110' ' ' VAL . 3.5 pm0 -79.54 136.61 36.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 0.717 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.647 HG22 HG23 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -132.75 166.21 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.577 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 2.9 pp -130.98 139.68 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.867 HG12 HG23 ' A' ' 108' ' ' ILE . 4.3 m -149.27 157.22 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 106' ' ' PHE . 5.5 t0 -170.4 170.66 6.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -107.16 11.56 29.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 120' ' ' LEU . 5.4 t30 61.49 142.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.423 1.077 . . . . 0.0 109.994 -179.97 . . . . . . . . 0 0 . 1 stop_ save_